SMILES for Histone-lysine N-methyltransferase NSD3

61 SMILES Strings for Histone-lysine N-methyltransferase NSD3

Compound Name

SMILES String

CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12

Cc1noc(C)c1-c1[nH]ncc1-c1ccncc1 |(19.1,-12.78,;17.77,-13.55,;16.37,-12.93,;15.34,-14.08,;16.11,-15.41,;15.49,-16.82,;17.62,-15.08,;18.78,-16.11,;20.28,-15.78,;21.06,-17.11,;20.03,-18.26,;18.62,-17.64,;17.29,-18.42,;15.96,-17.65,;14.63,-18.42,;14.62,-19.97,;15.96,-20.74,;17.3,-19.97,)|

BDBM50555101

Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12 |(17.67,-17.76,;18.28,-16.45,;17.13,-15.43,;17.44,-13.92,;16.29,-12.89,;16.6,-11.38,;18.9,-13.43,;20.05,-14.46,;21.51,-13.98,;19.73,-15.97,;20.88,-16.99,;22.38,-16.66,;23.16,-17.99,;22.13,-19.14,;22.46,-20.64,;20.72,-18.52,;19.39,-19.3,;18.06,-18.53,;16.73,-19.3,;16.73,-20.85,;18.06,-21.62,;18.06,-23.16,;19.39,-23.93,;19.39,-25.47,;20.73,-23.15,;20.73,-21.62,;19.4,-20.85,)|

BDBM50498655

COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCN(C)CC1

BDBM50562969

c1cc(sc1)CN(C2CC2)C(=O)c3ccc(cc3)C#N

BDBM50608080

Cc1ccc2c(ccnc2c1)-c1c(ncn1C)-c1c(C)cc(CN)cc1C |(-2.76,-5.83,;-2.37,-4.34,;-3.46,-3.27,;-3.08,-1.78,;-1.59,-1.37,;-1.19,.12,;.3,.52,;1.39,-.57,;.99,-2.05,;-.49,-2.45,;-.88,-3.94,;-2.27,1.21,;-2.11,2.74,;-3.52,3.37,;-4.55,2.23,;-3.78,.89,;-4.55,-.44,;-.78,3.51,;.56,2.75,;.56,1.21,;1.88,3.52,;1.88,5.06,;3.22,5.83,;4.55,5.06,;.55,5.83,;-.78,5.06,;-2.11,5.83,)|

BDBM50608081

CC1=CC(=O)N(N=C1c2ccccc2)C3CCNCC3

BDBM50608082

Cn1cnc(c1-c1ccncc1)-c1ccccc1

BDBM50106497

Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ncccc12 |w:6.6|

BDBM50616733

CC#CC(=O)NC12CC(C1)(C2)NC1=C(Cl)C(=O)c2ncccc2C1=O |c:14|

BDBM50621394

C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCCCNCc1cc(C)c(-c2ncn(C)c2-c2ccnc3cc(F)ccc23)c(C)c1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,wU:13.14,5.4,1.0,wD:7.7,(18.5,-5.06,;17.17,-4.29,;17.17,-2.75,;15.84,-1.98,;14.5,-2.75,;15.84,-.44,;17.13,.4,;16.73,1.89,;17.82,2.97,;15.19,1.89,;14.64,.53,;13.15,.13,;12.75,-1.36,;12.06,1.22,;10.58,.82,;9.49,1.91,;9.89,3.4,;8,1.51,;6.91,2.6,;5.42,2.2,;4.33,3.29,;2.85,2.89,;1.76,3.98,;.27,3.58,;-.82,4.67,;-2.31,4.27,;-3.39,5.36,;-4.88,4.96,;-5.97,6.05,;-7.46,5.65,;-7.86,4.17,;-9.34,3.77,;-9.74,2.28,;-10.43,4.86,;-11.92,4.46,;-12.4,2.99,;-13.94,2.99,;-14.41,4.46,;-15.9,4.86,;-13.17,5.36,;-13.17,6.9,;-11.83,7.67,;-11.83,9.21,;-13.17,9.98,;-14.5,9.21,;-15.84,9.98,;-17.17,9.21,;-18.5,9.98,;-17.17,7.67,;-15.84,6.9,;-14.5,7.67,;-10.04,6.34,;-10.43,7.83,;-8.55,6.74,;12.46,2.71,;12.86,4.19,;13.95,3.11,;11.37,3.8,;15.84,-5.06,;15.84,-6.6,;14.5,-7.37,;13.17,-6.6,;13.17,-5.06,;14.5,-4.29,;11.84,-7.37,;10.43,-6.74,;9.4,-7.88,;10.17,-9.22,;11.68,-8.9,;12.77,-9.98,)|

BDBM50300028

C[N@@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC

BDBM50627878

CCCC[C@H](NC(=O)[C@@H](NC(=O)CNC(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r|

BDBM50627886

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@](N)(COC4CC4)C3)-c3ccc(F)c(F)c3)cnc12 |r|

BDBM567822

COC[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)c(F)c1 |r|

BDBM567825

COC[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1cc(Cl)ccc1F |r|

BDBM567828

COC[C@@]1(N)CCCN(C1)c1cnc(cc1Cn1cnc2c(N)ncnc12)-c1ccc(F)cc1F |r|

BDBM567831

COc1ccc(cc1F)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCC[C@](N)(COC2CCC2)C1 |r|

BDBM567955

Nc1ncnc2n(Cc3cc(ncc3N3CCC[C@@](N)(C3)[C@@H](O)C(F)F)-c3cc(F)c(F)cc3F)cnc12 |r|

BDBM567959

COc1cc(F)c(cc1F)-c1cc(Cn2cnc3c(N)ncnc23)c(cn1)N1CCC[C@@](N)(C1)[C@@H](O)C(F)F |r|

BDBM50594308

Cc1cc(CN2CCC(N)CC2)cc(C)c1-c1ncn(C)c1-c1ccc(C#N)c2ccccc12 |(1.35,-2.84,;.89,-1.32,;1.98,-.19,;1.54,1.27,;2.57,2.39,;4.07,2.04,;4.52,.57,;6.03,.23,;7.07,1.36,;8.56,.96,;6.62,2.83,;5.12,3.17,;.01,1.61,;-1.03,.5,;-2.56,.83,;-.58,-.97,;-1.67,-2.1,;-1.38,-3.61,;-2.7,-4.35,;-3.87,-3.33,;-5.07,-3.53,;-3.21,-1.93,;-3.91,-.62,;-3.25,.85,;-4.1,2.14,;-5.61,2.03,;-6.47,3.36,;-7.12,4.38,;-6.34,.66,;-7.88,.57,;-8.56,-.81,;-7.72,-2.09,;-6.18,-2,;-5.49,-.62,)|

BDBM50627876

[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c3ccc(NC(=O)c4ccc(CN(C5CC5)C(=O)c5ccc6NC(=O)COc6c5)cc4)cc3)[C@@]1([H])NC(=O)N2 |r|

BDBM50627888

C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)CCCNCc1cc(C)c(-c2ncn(C)c2-c2ccnc3cc(F)ccc23)c(C)c1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,wU:13.14,5.4,1.0,wD:7.7,(14.13,-3.14,;14.53,-4.63,;13.44,-5.72,;11.95,-5.32,;10.86,-6.41,;11.55,-3.83,;12.58,-2.69,;11.81,-1.36,;12.58,-.02,;10.31,-1.68,;10.15,-3.21,;8.81,-3.98,;8.81,-5.52,;7.48,-3.21,;6.15,-3.98,;4.81,-3.21,;4.81,-1.67,;3.48,-3.98,;2.14,-3.21,;.81,-3.98,;-.52,-3.21,;-1.86,-3.98,;-3.19,-3.21,;-4.52,-3.98,;-5.86,-3.21,;-7.19,-3.98,;-8.53,-3.21,;-8.53,-1.67,;-9.86,-3.98,;-11.19,-3.21,;-12.53,-3.98,;-13.86,-3.21,;-15.2,-3.98,;-16.53,-3.21,;-16.53,-1.67,;-17.86,-.9,;-17.86,.64,;-19.19,-1.67,;-20.53,-.9,;-21.93,-1.52,;-22.96,-.38,;-22.19,.95,;-22.96,2.29,;-20.69,.63,;-19.6,1.72,;-18.1,1.32,;-17.02,2.42,;-17.42,3.9,;-18.91,4.3,;-19.31,5.79,;-20.79,6.17,;-21.19,7.66,;-21.87,5.09,;-21.47,3.61,;-20,3.21,;-19.19,-3.21,;-20.53,-3.98,;-17.85,-3.98,;7.48,-1.67,;6.15,-.9,;8.81,-.9,;7.48,-.13,;16.02,-5.03,;17.11,-3.94,;18.59,-4.34,;18.99,-5.83,;17.91,-6.91,;16.42,-6.52,;20.47,-6.23,;21.03,-7.66,;22.56,-7.58,;22.96,-6.09,;21.67,-5.26,;21.67,-3.72,)|

BDBM50179360

CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11|

BDBM50315537

CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21|

BDBM50378739

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N

BDBM50629733

CCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)CNC(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O |r|

BDBM50324210

OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7|

BDBM50388091

COc1cccc(c1)-n1nc(cc1-c1ccc(C2CCCCC2)c(Cl)c1)C(O)=O

BDBM50162774

CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C

BDBM50629734

Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccncc1 |(1.49,-3.39,;1.73,-1.87,;3.16,-1.31,;3.4,.21,;4.83,.77,;5.07,2.29,;2.2,1.18,;.76,.62,;-.44,1.59,;.53,-.9,;-.91,-1.46,;-1.04,-2.99,;-2.54,-3.34,;-3.34,-2.02,;-4.87,-1.9,;-2.33,-.86,;-2.94,.56,;-2.01,1.79,;-2.62,3.2,;-4.15,3.39,;-5.07,2.15,;-4.46,.74,)|

BDBM50629735

Cc1noc(C)c1-c1ncn(C)c1-c1ccnc2cc(F)ccc12 |(2.35,1.41,;3.25,.17,;4.79,.17,;5.27,-1.29,;4.03,-2.2,;4.03,-3.74,;2.78,-1.3,;1.32,-1.78,;.85,-3.25,;-.69,-3.25,;-1.17,-1.78,;-2.64,-1.31,;.07,-.88,;.07,.66,;1.4,1.44,;1.4,2.98,;.06,3.74,;-1.27,2.97,;-2.61,3.74,;-3.94,2.96,;-5.27,3.73,;-3.94,1.42,;-2.6,.66,;-1.27,1.43,)|

BDBM50629736

C[C@@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)CCCNCc1cc(C)c(-c2ncn(C)c2-c2ccnc3cc(F)ccc23)c(C)c1)C(C)(C)C)c1ccc(cc1)-c1scnc1C |r,wU:5.4,1.0,wD:13.62,7.7,(17.32,4.95,;15.83,4.44,;15.52,2.95,;16.65,1.92,;18.14,2.39,;16.34,.44,;17.37,-.74,;16.6,-2.08,;17.21,-3.46,;15.11,-1.72,;14.96,-.23,;13.62,.54,;13.62,2.08,;12.29,-.23,;10.95,.54,;9.62,-.23,;9.62,-1.77,;8.29,.54,;6.95,-.23,;5.62,.54,;4.28,-.23,;2.95,.54,;1.62,-.23,;.28,.54,;-1.05,-.23,;-2.39,.54,;-3.72,-.23,;-3.72,-1.77,;-5.05,.54,;-6.39,-.23,;-7.72,.54,;-9.06,-.23,;-10.39,.54,;-11.72,-.23,;-13.06,.54,;-14.39,-.23,;-15.73,.54,;-14.39,-1.77,;-15.73,-2.54,;-17.11,-1.87,;-18.14,-3.05,;-17.37,-4.39,;-17.98,-5.77,;-15.88,-4.03,;-14.75,-5.11,;-13.26,-4.59,;-12.13,-5.62,;-12.44,-7.16,;-13.93,-7.62,;-14.24,-9.11,;-15.68,-9.62,;-16.03,-11.11,;-16.86,-8.59,;-16.5,-7.06,;-15.06,-6.59,;-13.06,-2.54,;-13.06,-3.67,;-11.72,-1.77,;12.29,-1.77,;13.62,-2.54,;12.29,-3.31,;10.95,-2.54,;14.75,5.57,;13.26,5.16,;12.19,6.23,;12.6,7.72,;14.08,8.13,;15.16,7,;11.52,8.8,;9.98,8.54,;9.26,9.93,;10.34,11.01,;11.72,10.34,;13.06,11.11,)|

BDBM50629737

O=C(NCCCN(Cc1nc2sc3CCCCc3c2c(=O)[nH]1)Cc1nc2sc3CCCCc3c2c(=O)[nH]1)c1cc2ccccc2c(=O)o1

BDBM50637593

CC(C)Oc1ccc(OCCn2c(S)nc3c(N)ncnc32)cc1

BDBM50637594

Cc1ccc(OCCn2c(S)nc3c(N)ncnc32)cc1

BDBM50637595

CCOc1ccc(OCCn2c(S)nc3c(N)ncnc32)cc1

BDBM50637596

Nc1ncnc2c1ncn2CCOc1ccc(F)cc1

BDBM50637597

Nc1ncnc2c1ncn2CCOc1ccc(Cl)cc1

BDBM50637598

Nc1ncnc2c1ncn2CCOc1ccc(Br)cc1

BDBM50637599

Nc1ncnc2c1ncn2CCOc1ccc(I)cc1

BDBM50637600

Nc1ncnc2c1ncn2CCOc1ccc(C(F)(F)F)cc1

BDBM50637601

COc1ccc(OCCn2cnc3c(N)ncnc32)cc1

BDBM83746

Cc1ccc(OCCn2cnc3c(N)ncnc23)cc1

BDBM50637602

N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cc1

BDBM50637603

Nc1ncnc2c1ncn2CCOc1cccc(Cl)c1

BDBM50637604

N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cc1Cl

BDBM50637605

N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cc1C#N

BDBM50637606

Cc1ccc(OCCn2cnc3c(N)ncnc32)c(Cl)c1

BDBM50637607

Nc1ncnc2c1ncn2CCOc1ccc(Br)cc1F

BDBM50637608

Nc1ncnc2c1ncn2CCOc1ccc(Br)c(F)c1

BDBM50637609

N#Cc1ccc(OCCn2cnc3c(N)ncnc32)cn1

BDBM50637610

N#Cc1ccc(OCCn2c(S)nc3c(N)ncnc32)cc1

BDBM50637611

N#Cc1ccc(OCCn2c(O)nc3c(N)ncnc32)cc1

BDBM50585598

C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|

BDBM50643520

Nc1nc2cc(CC[C@H]3C[C@@H](Nc4ncnc5c4C(=O)CCN5)[C@H](O)[C@@H]3O)ccc2cc1Br

BDBM50643526

Nc1nc2cc(CC[C@H]3C[C@@H](Nc4ncncc4C(=O)c4ccsc4)[C@H](O)[C@@H]3O)ccc2cc1Br

BDBM50608077

CC1CN1c1cc(O)c2nc(N)sc2c1

BDBM50590375

CN(C)C1CCC(CC1)C1(C)Oc2c(O1)c(C)c(cc2Br)C(=O)NCc1c(C)cc(C)[nH]c1=O |(2.94,-8.67,;1.46,-8.27,;.37,-9.36,;1.06,-6.79,;2.15,-5.7,;1.75,-4.21,;.26,-3.81,;-.83,-4.9,;-.43,-6.39,;-.14,-2.32,;1.4,-2.32,;-1.67,-2.17,;-1.99,-.66,;-.66,.11,;.49,-.92,;-.66,1.66,;.67,2.43,;-2,2.43,;-3.34,1.66,;-3.34,.11,;-4.67,-.66,;-2,3.97,;-3.33,4.74,;-.66,4.74,;-.66,6.28,;.67,7.05,;.67,8.59,;-.66,9.36,;2,9.36,;3.34,8.59,;4.67,9.36,;3.34,7.05,;2,6.28,;2,4.74,)|

BDBM588052

CN(C)[C@H]1CC[C@@H](CC1)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(C)cc(C)[nH]c1=O |r,wU:6.6,wD:9.10,3.2,(5.78,-4.8,;4.69,-5.89,;5.09,-7.38,;3.2,-5.49,;2.8,-4.01,;1.32,-3.61,;.23,-4.7,;.63,-6.18,;2.11,-6.58,;-1.26,-4.3,;-2.03,-5.63,;-2.79,-4.14,;-3.11,-2.63,;-1.78,-1.86,;-.63,-2.89,;-1.78,-.32,;-.44,.45,;-3.11,.45,;-4.45,-.32,;-4.45,-1.86,;-5.78,-2.63,;-3.11,1.99,;-4.45,2.76,;-1.78,2.76,;-1.78,4.3,;-.44,5.07,;-.44,6.61,;-1.78,7.38,;.89,7.38,;2.22,6.61,;3.56,7.38,;2.22,5.07,;.89,4.3,;.89,2.76,)|

BDBM50365463

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|