SMILES for Serine/threonine-protein kinase D1

278 SMILES Strings for Serine/threonine-protein kinase D1

Compound Name

SMILES String

BDBM16173

c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N

BDBM32333

Cc1cc(NCCCN)nc(n1)-c1ccccc1O

BDBM32334

Oc1ccc2oc3c(CCCNC3=O)c2c1

BDBM32335

CCC(=O)Nc1c2CSCc2nn1-c1ccccc1C

BDBM32336

CC(=O)Oc1cc(OC(C)=O)c2c(C)cc(=O)oc2c1

BDBM32337

[H][C@]12C[C@H](NC)[C@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |TLB:13:12:11:6.3.2,19:35:11:6.3.2,THB:7:6:11:12.33.35.34,32:33:11:6.3.2,26:34:11:6.3.2|

BDBM32338

c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N

BDBM32339

CS(=O)(=O)N1CCN(CC1)c1ccccc1NC(=O)c1ccc(Br)o1

BDBM32340

CCc1n[nH]c2cccc3c(OC)ccc1c23

BDBM32341

Clc1cccc(c1)-c1ccc(o1)C(=O)Nc1ccc(CN2CCOCC2)cc1

BDBM32342

Nc1nc2ccc(c(N)c2s1)[N+]([O-])=O

BDBM32343

Clc1cncc(Cl)c1N=NCc1ccncc1 |w:8.8|

BDBM32344

[O-][N+](=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1

BDBM32345

Brc1ccc(cc1)C(=O)NNC1=Nc2cccc3cccc1c23 |t:12|

BDBM32346

[H]C12CCC([H])(C1)C(C2C(O)=O)C(=O)Nc1sc2CCCCCc2c1C(=O)OC |TLB:12:7:6:3.2,THB:9:8:6:3.2|

BDBM32347

CSc1ccccc1C(=O)NCc1ccc(F)cc1

BDBM32348

CC1Cc2ccccc2N1c1ncnc(N)c1[N+]([O-])=O

BDBM32349

Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C(C(=O)NCC2CCCO2)c2ccncc2)no1

BDBM32350

O=C(Nc1ccccc1C(=O)N1CCCC1)C1COc2ccccc2O1

BDBM32351

O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)c1ccccc1

BDBM32352

CCOC(=O)c1sc(=NC(=O)CCS(=O)(=O)c2ccccc2)n(C)c1C |w:8.8|

BDBM32353

Clc1ccc(Cl)c(c1)N1CSCC1=O

BDBM32354

OC(=O)c1cc(c[nH]1)C(=O)C1CCCCC1

BDBM32355

COc1ccc(Cn2c(=O)[nH]c3cc(ccc3c2=O)C(=O)NC2CCCC2)cc1

BDBM32356

Cc1c(C#N)c(N)nc(Cl)c1C#N

BDBM32357

COc1ccc(CNC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)cc1

BDBM32358

Cn1cccc1C(=O)NC(=O)COC(=O)c1cc(ccc1Cl)S(=O)(=O)N1CCCCC1

BDBM32359

O=C(CSc1ccncc1)Nc1ccc2ccccc2c1

BDBM32360

CC(N=Nc1ncc(Cl)cc1Cl)c1ccccn1 |w:3.3|

BDBM32361

CCCc1cc(=O)[nH]c(SCCCCN2C(=O)c3ccccc3C2=O)n1

BDBM31085

CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1

BDBM5931

CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3

BDBM31099

CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl

BDBM6866

c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F

BDBM31095

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1

BDBM31096

CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

BDBM4814

CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C

BDBM50336960

Oc1ccc2sc3c(SCCNC3=O)c2c1

BDBM50119286

COc1ccc2sc3c(SCCNC3=O)c2c1

BDBM81614

Oc1ccc2sc3c(SCCNC3=O)c2c1I

BDBM50336962

Oc1ccc2sc3c(SCCCNC3=O)c2c1

BDBM50336963

COc1ccc2sc3c(SCCCNC3=O)c2c1

BDBM92601

Oc1ccc2oc(=O)c3NCCCc3c2c1

BDBM103302

O=C(CN1CC[C@@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r|

BDBM236557

Nc1ccc(cn1)-c1ccc2ncc3c(n(-c4cccc(c4)C(F)(F)F)c(=O)[nH]c3=O)c2n1

BDBM50324295

C1CC1N1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1

BDBM50324286

C1CCC(CC1)Nc1cc(ccn1)-c1cc2ccccc2c(n1)N1CCNCC1

BDBM50324310

CCNC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1

BDBM50324306

O=C(NCCN1CCCC1)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1

BDBM50324309

NC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1

BDBM50324305

O=C(NC1CCNCC1)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1

BDBM50324308

NCC(=O)N1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1

BDBM50324304

CNC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1

BDBM50324307

OC1CCN(CC1)C(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1

BDBM50324303

NC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1

BDBM50324297

C1CN(CCN1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1

BDBM50324296

NCC1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1

BDBM50324298

CC(C)CN1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1

BDBM50324319

C1CN(CCN1)c1nc(cc2cnccc12)-c1ccncc1

BDBM50324320

Clc1cc(ccn1)-c1cc2cnccc2c(n1)N1CCNCC1

BDBM50324299

OCCNc1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1

BDBM50324300

OC1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1

BDBM3033

Cn1c2ccccc2c3c1c4c(c5ccccc5n4CCC#N)c6c3C(=O)NC6

BDBM50324301

O=C1CN(CCN1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1

BDBM50324302

CC(=O)C1CN(CCN1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1

BDBM50324315

C1CCC(CC1)Nc1cc(ccn1)-c1cc2cnccc2c(n1)N1CCNCC1

BDBM50324291

C[C@H]1CN(C[C@@H](C)N1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1 |r|

BDBM50324312

CC(C)CNC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1

BDBM50324292

CN1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1

BDBM50324313

OCCNC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1

BDBM50324293

CC(C)CN1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1

BDBM50324314

O=C(NCCN1CCCC1)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1

BDBM50324311

CC(C)NC(=O)C1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCOCC2)c1

BDBM50324294

C(C1CC1)N1CCN(CC1)c1nc(cc2cnccc12)-c1ccnc(NC2CCCCC2)c1

BDBM50324290

C1CCC(CC1)Nc1cc(ccn1)-c1nc(N2CCNCC2)c2ccccc2n1

BDBM50324318

CNc1cc(ccn1)-c1cc2cnccc2c(NCCCO)n1

BDBM50324289

C1CCC(CC1)Nc1cc(ccn1)-c1cc2ncccc2c(n1)N1CCNCC1

BDBM50324317

OCCCNc1nc(cc2cnccc12)-c1ccncc1

BDBM50324288

C1CCC(CC1)Nc1cc(ccn1)-c1cc2ccncc2c(n1)N1CCNCC1

BDBM50324316

NCCNc1nc(cc2cnccc12)-c1ccncc1

BDBM50324287

C1CCC(CC1)Nc1cc(ccn1)-c1cc2cccnc2c(n1)N1CCNCC1

BDBM50324343

NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCOCC1

BDBM50324342

CC1(C)CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O

BDBM50324325

NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCOCC2)c1)N1CCNCC1

BDBM50324326

CC(C)Nc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)C(N)=O

BDBM50324331

N#Cc1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1

BDBM50324329

NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCC2)c1)N1CCNCC1

BDBM50324324

NC(=O)c1cc(nc(c1)-c1ccnc(Nc2ccccc2)c1)N1CCNCC1

BDBM50324330

CCNc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)C(N)=O

BDBM50324327

Cn1ccc(Nc2cc(ccn2)-c2cc(cc(n2)N2CCNCC2)C(N)=O)n1

BDBM50324328

NC(=O)c1cc(nc(c1)-c1ccnc(Nc2ccccc2Cl)c1)N1CCNCC1

BDBM50324323

NC(=O)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1

BDBM50324344

FC(F)(F)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1

BDBM50324339

NC1CCCN(C1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O

BDBM50324345

FC(F)c1cc(nc(c1)-c1ccnc(NC2CCCCC2)c1)N1CCNCC1

BDBM50324340

CN1CCN(CC1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O

BDBM50324321

O=C1NCc2c1cc(nc2N1CCNCC1)-c1ccnc(NC2CCCCC2)c1

BDBM50324341

NCC1CCN(CC1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O

BDBM50324322

O=C1NCc2c1cc(nc2-c1ccnc(NC2CCCCC2)c1)N1CCNCC1

BDBM50324338

C[C@H]1CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O |r|

BDBM50324337

C[C@@H]1CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCCCC2)c1)C(N)=O |r|

BDBM50324336

NC(=O)c1cc(N[C@H]2CCNC2)nc(c1)-c1ccnc(NC2CCCCC2)c1 |r|

BDBM50324335

NC(=O)c1cc(N[C@@H]2CCNC2)nc(c1)-c1ccnc(NC2CCCCC2)c1 |r|

BDBM50324348

C1CN(CCN1)c1cc(cc(n1)-c1ccnc(NC2CCOCC2)c1)-c1cn[nH]c1

BDBM50324334

C1CCC(CC1)Nc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)-c1cc[nH]n1

BDBM50324333

Cn1ccc(Nc2cc(ccn2)-c2cc(cc(n2)N2CCNCC2)C#N)n1

BDBM50324347

CC(C)Nc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)-c1cn[nH]c1

BDBM50324332

N#Cc1cc(nc(c1)-c1ccnc(Nc2ccccc2)c1)N1CCNCC1

BDBM50324346

C1CCC(CC1)Nc1cc(ccn1)-c1cc(cc(n1)N1CCNCC1)-c1cn[nH]c1

BDBM50326053

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC

BDBM50308060

C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O

BDBM50026612

CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5

BDBM2579

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

BDBM50214857

Cc1cccc(n1)-c1nc(CNc2cccc(c2)C#N)[nH]c1-c1ccc2nccnc2c1

BDBM50123803

CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1

BDBM50135286

Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F

BDBM50320964

Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2ncccc2c1

BDBM50300690

CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1

BDBM13535

COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1

BDBM16673

CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl

BDBM50326054

CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|

BDBM50337699

CN1CCN(CC1)c1ccc(cc1)-c1cc(n[nH]1)-c1cccc(NC(C)=O)c1

BDBM50337700

CCCNC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(cc1)N1CCN(C)CC1

BDBM50337701

CC(C)NC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(cc1)N1CCN(C)CC1

BDBM50337702

CC(C)NC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(N2CCN(C)CC2)c(Br)c1

BDBM50337703

CC(C)NC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(N2CCN(C)CC2)c(c1)-c1ccccc1

BDBM50337704

CC(C)NC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(N2CCN(C)CC2)c(c1)-c1ccncc1

BDBM50337705

CN1CCN(CC1)c1ccc(cc1)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCC#N

BDBM50337695

CN1CCN(CC1)c1ccc(cc1Br)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCC#N

BDBM50337706

CN1CCN(CC1)c1ccc(cc1)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCCC#N

BDBM50337707

COCCNC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(cc1)N1CCN(C)CC1

BDBM50337708

CN1CCN(CC1)c1ccc(cc1)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCCO

BDBM50337709

CN(C)CCNC(=O)c1cccc(c1)-c1cc([nH]n1)-c1ccc(cc1)N1CCN(C)CC1

BDBM50337710

CN1CCN(CC1)c1ccc(cc1)-c1cc(n[nH]1)-c1cccc(c1)C(=O)NCC(F)(F)F

BDBM50337711

CN1CCN(CC1)c1ccc(cc1)-c1cc(no1)-c1cccc(c1)C(=O)NCC#N

BDBM50337696

C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(cc1)N1CCN(C)CC1)C#N |r|

BDBM50337712

C[C@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(cc1)N1CCN(C)CC1)C#N |r|

BDBM50337713

CC(C)NCc1ccc(cc1)-c1cc([nH]n1)-c1cccc(c1)C(=O)NC(C)C

BDBM50337714

COCCNCc1ccc(cc1)-c1cc([nH]n1)-c1cccc(c1)C(=O)NC(C)C

BDBM50337715

CC(C)NC(=O)c1cccc(c1)-c1cc(n[nH]1)-c1ccc(CNC2CC2)cc1

BDBM50337716

CC(C)NC(=O)c1cccc(c1)-c1cc(n[nH]1)-c1ccc(CNCC(F)(F)F)cc1

BDBM50337697

CC(C)NCc1ccc(cc1)-c1cc([nH]n1)-c1cccc(c1)C(=O)N[C@H](C)C#N |r|

BDBM50337698

CC(C)NCc1ccc(cc1)-c1cc(no1)-c1cccc(c1)C(=O)N[C@H](C)C#N |r|

BDBM50337717

CC(C)NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1

BDBM50337718

O=C(NCC#N)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1

BDBM50337719

CC(C)(NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N

BDBM50337694

C[C@@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N |r|

BDBM50337720

C[C@H](NC(=O)c1cccc(c1)-c1cc(on1)-c1ccc(CNC2CCOCC2)cc1)C#N |r|

BDBM25117

CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4

BDBM25919

Cc1cnc2c(NCCN)nc3ccc(C)cc3n12

BDBM50355494

COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1

BDBM15138

Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|

BDBM32362

COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N

BDBM5446

COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C

BDBM4779

C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM4851

Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1

BDBM17055

CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|

BDBM6568

CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl

BDBM13533

Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

BDBM482158

CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl

BDBM25028

CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1

BDBM36409

CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12

BDBM12621

COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F

BDBM31088

Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12

BDBM26474

CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1

BDBM13216

Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl

BDBM25045

Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1

BDBM24773

CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C

BDBM13534

CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

BDBM50331096

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1

BDBM60589

Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1

BDBM4552

CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC

BDBM50242737

Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|

BDBM25013

CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|

BDBM5447

COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F

BDBM50355497

Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO

BDBM5445

CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1

BDBM50306682

C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|

BDBM25628

OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O

BDBM50355500

C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|

BDBM24654

Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1

BDBM60665

CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C

BDBM50161957

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

BDBM21079

Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1

BDBM25084

Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1

BDBM31093

OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|

BDBM50355501

c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4

BDBM15244

c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl

BDBM50193995

C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|

BDBM50128285

Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|

BDBM25118

CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

BDBM50184807

C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

BDBM21

CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br

BDBM50332294

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4

BDBM13336

CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM13530

CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1

BDBM50355496

O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1

BDBM5655

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

BDBM50355499

CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|

BDBM50309910

COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C

BDBM25617

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F

BDBM50355504

COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|

BDBM50322823

CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F

BDBM25121

CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|

BDBM27817

CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12

BDBM50355495

Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C

BDBM26300

CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO

BDBM50237710

Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F

BDBM50132260

Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F

BDBM50359359

CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C

BDBM50360301

C[C@@H]1CCNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2n1CCCN(C)C |r|

BDBM50192071

C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O

BDBM50229971

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCCOc2c1)-c1ccccn1

BDBM50229961

CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12

BDBM50298225

CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N

BDBM31090

CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F

BDBM7533

CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|

BDBM13531

Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1

BDBM50110208

NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1

BDBM31340

COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

BDBM50336958

COc1ncc2sc3c(SCCNC3=O)c2n1

BDBM50336959

Oc1ccc2[nH]c3c(CCCNC3=O)c2c1

BDBM50336961

[N-]=[N+]=Nc1ccc2sc3c(SCCNC3=O)c2c1

BDBM50417843

O=c1[nH]ccc2cc(O[C@H]3CCCNC3)ccc12 |r|

BDBM50417844

c1cc2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3

BDBM50427363

CC(C)[C@@](C)(O)[C@@H]1CN(CCN1)c1nc(-c2n[nH]c3ncccc23)c(F)cc1Cl |r|

BDBM50429867

Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O

BDBM50462709

O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1

BDBM50463479

CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1

BDBM50463483

O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12

BDBM50502742

[H]C12CC([H])(C1)n1cc(nc1-c1cc(ccc21)C#C[C@](C)(O)c1cc(C)on1)C(N)=O |r,wD:19.23,(1.78,4.35,;3.05,3.48,;4.57,3.77,;4.85,2.25,;6.13,1.38,;3.34,1.97,;5.31,.78,;5.08,-.74,;4.21,-2.01,;2.87,-2.78,;1.34,-2.9,;-.1,-2.33,;-1.14,-1.2,;-1.6,.27,;-1.36,1.79,;-.5,3.06,;.84,3.83,;-3.13,.15,;-4.67,.04,;-6.2,-.07,;-7.74,-.19,;-6.32,1.46,;-6.09,-1.61,;-4.78,-2.42,;-5.15,-3.92,;-4.15,-5.09,;-6.68,-4.03,;-7.26,-2.6,;5.25,-3.14,;4.8,-4.61,;6.76,-2.8,)|

BDBM50502743

NC(=O)c1cn2C3CC(C3)c3ccc(cc3-c2n1)C#CC1CCCC1 |(31.97,-3.51,;31.08,-4.77,;29.55,-4.63,;31.73,-6.17,;30.98,-7.5,;32.02,-8.62,;31.66,-10.13,;32.61,-11.35,;34.15,-11.36,;33.3,-9.91,;35.12,-10.17,;36.59,-10.62,;37.72,-9.58,;37.38,-8.07,;35.91,-7.62,;34.79,-8.67,;33.41,-7.98,;33.23,-6.46,;38.5,-7.02,;39.63,-5.97,;40.76,-4.91,;42.27,-5.21,;43.02,-3.86,;41.96,-2.73,;40.56,-3.39,)|

BDBM158533

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O |r|

BDBM159183

Cc1cnc(o1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |r,wU:6.8,wD:6.7,(8.21,.73,;6.88,-.04,;6.4,-1.51,;4.86,-1.51,;4.38,-.04,;5.63,.86,;3.05,.73,;4.38,1.5,;3.05,2.27,;1.72,-.04,;.38,-.81,;-.95,-1.58,;-.95,-3.12,;-2.28,-3.89,;-3.62,-3.12,;-4.82,-4.08,;-6.32,-3.74,;-6.99,-2.35,;-5.21,-2.35,;-6.32,-.98,;-7.23,.26,;-6.32,1.51,;-4.86,1.03,;-4.86,-.51,;-3.62,-1.58,;-2.28,-.81,;-6.72,3,;-5.63,4.08,;-8.21,3.39,)|

BDBM50502744

CCOc1nc2ccc(cc2n1-c1ccnc(N)n1)C#C[C@@](C)(O)c1ncc(C)o1 |r|

BDBM158654

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |r,wU:6.7,wD:6.8,(3.31,5.03,;4.08,3.69,;3.61,2.23,;4.85,1.32,;6.1,2.23,;5.62,3.69,;4.85,-.22,;6.19,.55,;6.19,-.99,;3.52,-.99,;2.18,-1.76,;.85,-2.53,;-.48,-1.76,;-1.82,-2.53,;-3.02,-1.57,;-2.88,-.03,;-4.3,.57,;-5.31,-.59,;-4.52,-1.91,;-5.19,-3.3,;-4.52,-4.68,;-3.02,-5.03,;-3.58,-3.53,;-1.82,-4.07,;-.48,-4.84,;.85,-4.07,;2.18,-4.84,;-4.7,2.06,;-6.19,2.46,;-3.61,3.15,)|

BDBM158743

Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(C(N)=O)c(C4CC4)n3C3CC(C3)c2cc1F |r,wU:6.8,wD:6.9,(-9.15,-.72,;-7.82,-1.49,;-6.57,-.59,;-5.32,-1.49,;-5.8,-2.96,;-7.34,-2.96,;-3.99,-.72,;-3.22,-2.06,;-5.32,.05,;-2.66,.05,;-1.32,.82,;.01,1.59,;1.34,.82,;2.68,1.59,;3.88,.63,;3.74,-.91,;5.16,-1.51,;5.56,-3,;4.47,-4.09,;7.05,-3.4,;6.17,-.35,;7.66,-.75,;8.75,-1.84,;9.15,-.35,;5.38,.97,;6.05,2.36,;5.38,3.75,;3.88,4.09,;4.56,2.76,;2.68,3.13,;1.34,3.9,;.01,3.13,;-1.32,3.9,)|

BDBM50502745

CNC(=O)c1c(nc2-c3cc(ccc3C3CC(C3)n12)C#CC(C)(C)c1ncc(C)o1)C(N)=O |(28.83,-24.05,;30.36,-23.87,;30.97,-22.45,;30.05,-21.22,;32.5,-22.27,;33.25,-20.94,;34.75,-21.24,;34.93,-22.75,;36.3,-23.44,;37.43,-22.39,;38.89,-22.84,;39.24,-24.35,;38.11,-25.4,;36.64,-24.94,;35.67,-26.13,;34.13,-26.12,;33.18,-24.9,;34.81,-24.68,;33.54,-23.39,;40.02,-21.79,;41.15,-20.74,;42.28,-19.69,;41.49,-18.39,;43.1,-18.38,;43.57,-20.51,;43.67,-22.04,;45.15,-22.42,;45.97,-21.13,;47.51,-21.04,;45,-19.95,;32.6,-19.54,;33.49,-18.28,;31.07,-19.4,)|

BDBM50502741

Cc1cnc(o1)C(C)(C)C#Cc1ccc2C3CC(C3)n3c(nc(C(N)=O)c3C3CC3)-c2c1 |(46.46,-35.32,;44.92,-35.41,;44.1,-36.7,;42.62,-36.32,;42.52,-34.79,;43.95,-34.23,;41.23,-33.97,;40.44,-32.67,;42.05,-32.66,;40.1,-35.02,;38.97,-36.07,;37.85,-37.12,;38.19,-38.63,;37.06,-39.68,;35.59,-39.22,;34.62,-40.41,;33.08,-40.4,;32.13,-39.18,;33.76,-38.96,;32.49,-37.68,;33.88,-37.04,;33.7,-35.52,;32.2,-35.22,;31.55,-33.82,;32.44,-32.56,;30.02,-33.68,;31.45,-36.55,;29.92,-36.74,;28.51,-36.13,;28.69,-37.66,;35.25,-37.72,;36.38,-36.67,)|

BDBM159182

Cc1cnc(o1)[C@@](C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |r,wU:6.7,wD:6.8,(8.21,.73,;6.88,-.04,;6.4,-1.51,;4.86,-1.51,;4.38,-.04,;5.63,.86,;3.05,.73,;4.38,1.5,;2.65,2.21,;1.72,-.04,;.38,-.81,;-.95,-1.58,;-.95,-3.12,;-2.28,-3.89,;-3.62,-3.12,;-4.82,-4.08,;-6.32,-3.74,;-6.99,-2.35,;-5.21,-2.35,;-6.32,-.98,;-7.23,.26,;-6.32,1.51,;-4.86,1.03,;-4.86,-.51,;-3.62,-1.58,;-2.28,-.81,;-6.72,3,;-5.63,4.08,;-8.21,3.39,)|

BDBM50502746

Cc1cc(no1)[C@@](C)(O)C#Cc1ccc2OCCn3c(C4CC4)c(nc3-c2c1)C(N)=O |r|

BDBM158645

Cc1cc(no1)[C@@](C)(O)C#Cc1ccc2OCCn3cc(nc3-c2c1)C(N)=O |r|

BDBM158675

Cc1cc(no1)[C@](C)(O)C#Cc1ccc2C3CC(C3)n3cc(nc3-c2c1)C(N)=O |r,wU:6.8,wD:6.7,(8.1,.72,;6.76,-.05,;5.52,.86,;4.27,-.05,;4.75,-1.51,;6.29,-1.51,;2.94,.72,;4.27,1.49,;2.94,2.26,;1.6,-.05,;.27,-.82,;-1.06,-1.59,;-1.06,-3.13,;-2.4,-3.9,;-3.73,-3.13,;-4.93,-4.09,;-6.44,-3.75,;-7.1,-2.36,;-5.49,-2.59,;-6.44,-.97,;-7.22,.35,;-6.21,1.51,;-4.8,.91,;-4.93,-.63,;-3.73,-1.59,;-2.4,-.82,;-6.61,3,;-5.52,4.09,;-8.1,3.4,)|

BDBM50502747

CCOc1nc2ccc(cc2n1-c1ccnc(N)n1)C#C[C@](C)(O)c1ncc(C)o1 |r|

BDBM158562

NC(=O)c1cn2C3CC(C3)c3ccc(cc3-c2n1)C#CC1(O)CCCC1 |(4.13,-4.09,;5.22,-3,;6.7,-3.4,;4.82,-1.51,;5.83,-.35,;5.04,.97,;5.71,2.36,;5.04,3.75,;3.54,4.09,;4.15,2.65,;2.34,3.13,;1,3.9,;-.33,3.13,;-.33,1.59,;1,.82,;2.34,1.59,;3.54,.63,;3.4,-.91,;-1.67,.82,;-3,.05,;-4.33,-.72,;-4.33,.82,;-5.8,-.25,;-6.7,-1.49,;-5.8,-2.74,;-4.33,-2.26,)|

BDBM50519662

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

BDBM50537742

C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|

BDBM50565687

CC(C)(C)n1nc(-c2c[nH]c3ccccc23)c2c(N)ncnc12

BDBM50565688

Cn1cc(-c2nn(c3ncnc(N)c23)C(C)(C)C)c2ccccc12

BDBM50565689

CC(C)(C)n1nc(-c2c[nH]c3cccnc23)c2c(N)ncnc12

BDBM50565690

Nc1ncnc2n(CC3CCNCC3)nc(-c3c[nH]c4ccccc34)c12