SMILES for Histone-lysine N-methyltransferase EZH1

107 SMILES Strings for Histone-lysine N-methyltransferase EZH1

Compound Name

SMILES String

BDBM588031

CN(C)C12CCC(CC1)(CC2)C1(C)Oc2c(O1)c(Cl)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C

BDBM588032

COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)c3OC(C)(Oc3c(C)c2C1=O)C12CCC(CC1)(CC2)N(C)C

BDBM588033

CSc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)c3OC(C)(Oc3c(C)c2C1=O)C12CCC(CC1)(CC2)N(C)C

BDBM588041

CN(C)C12CCC(CC1)(CC2)C1(C)Oc2c(O1)c(Br)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C

BDBM588042

CN(C)C12CCC(CC1)(CC2)C1(C)Oc2c(O1)c(C)c1C(=O)N(Cc3c(C)cc(C)[nH]c3=O)CCc1c2C

BDBM588043

CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1ccco1)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.5,(10.11,2.58,;8.62,2.97,;8.22,4.46,;7.53,1.89,;7.93,.4,;6.84,-.69,;5.35,-.29,;4.96,1.19,;6.04,2.28,;4.26,-1.38,;5.35,-2.47,;3.36,-2.63,;1.9,-2.15,;1.9,-.61,;3.36,-.14,;.56,.16,;.56,1.7,;1.81,2.6,;1.33,4.07,;-.21,4.07,;-.68,2.6,;-.77,-.61,;-2.11,.16,;-3.44,-.61,;-3.44,-2.15,;-4.77,-2.92,;-6.11,-2.15,;-7.44,-2.92,;-7.44,-4.46,;-8.77,-2.15,;-8.77,-.61,;-10.11,.16,;-7.44,.16,;-6.11,-.61,;-4.77,.16,;-2.11,-2.92,;-2.11,-4.46,;-.77,-2.15,;.56,-2.92,;.56,-4.46,)|

BDBM588044

CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1cccs1)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.5,(10.11,2.58,;8.62,2.97,;8.22,4.46,;7.53,1.89,;7.93,.4,;6.84,-.69,;5.35,-.29,;4.96,1.19,;6.04,2.28,;4.26,-1.38,;5.35,-2.47,;3.36,-2.63,;1.9,-2.15,;1.9,-.61,;3.36,-.14,;.56,.16,;.56,1.7,;1.81,2.6,;1.33,4.07,;-.21,4.07,;-.68,2.6,;-.77,-.61,;-2.11,.16,;-3.44,-.61,;-3.44,-2.15,;-4.77,-2.92,;-6.11,-2.15,;-7.44,-2.92,;-7.44,-4.46,;-8.77,-2.15,;-8.77,-.61,;-10.11,.16,;-7.44,.16,;-6.11,-.61,;-4.77,.16,;-2.11,-2.92,;-2.11,-4.46,;-.77,-2.15,;.56,-2.92,;.56,-4.46,)|

BDBM588045

CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1ccncc1)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.6,(10.3,1.64,;8.9,2.26,;8.74,3.8,;7.65,1.36,;7.81,-.17,;6.57,-1.08,;5.16,-.45,;5,1.08,;6.24,1.99,;4.07,-1.54,;5.16,-2.63,;3.16,-2.79,;1.7,-2.31,;1.7,-.77,;3.16,-.29,;.37,,;.37,1.54,;1.7,2.31,;1.7,3.85,;.37,4.62,;-.97,3.85,;-.97,2.31,;-.97,-.77,;-2.3,,;-3.63,-.77,;-3.63,-2.31,;-4.97,-3.08,;-6.3,-2.31,;-7.64,-3.08,;-7.64,-4.62,;-8.97,-2.31,;-8.97,-.77,;-10.3,,;-7.64,,;-6.3,-.77,;-4.97,,;-2.3,-3.08,;-2.3,-4.62,;-.97,-2.31,;.37,-3.08,;.37,-4.62,)|

BDBM588046

CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1ccc(C)o1)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.6,(10.3,1.37,;8.9,2,;8.74,3.53,;7.65,1.09,;7.81,-.44,;6.57,-1.35,;5.16,-.72,;5,.81,;6.24,1.72,;4.07,-1.81,;5.16,-2.9,;3.16,-3.05,;1.7,-2.58,;1.7,-1.04,;3.16,-.56,;.37,-.27,;.37,1.27,;1.61,2.18,;1.14,3.64,;-.4,3.64,;-1.31,4.89,;-.88,2.18,;-.97,-1.04,;-2.3,-.27,;-3.63,-1.04,;-3.63,-2.58,;-4.97,-3.35,;-6.3,-2.58,;-7.64,-3.35,;-7.64,-4.89,;-8.97,-2.58,;-8.97,-1.04,;-10.3,-.27,;-7.64,-.27,;-6.3,-1.04,;-4.97,-.27,;-2.3,-3.35,;-2.3,-4.89,;-.97,-2.58,;.37,-3.35,;.37,-4.89,)|

BDBM588047

CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1cccnc1)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.6,(10.3,1.64,;8.9,2.26,;8.74,3.8,;7.65,1.36,;7.81,-.17,;6.57,-1.08,;5.16,-.45,;5,1.08,;6.24,1.99,;4.07,-1.54,;5.16,-2.63,;3.16,-2.79,;1.7,-2.31,;1.7,-.77,;3.16,-.29,;.37,,;.37,1.54,;-.97,2.31,;-.97,3.85,;.37,4.62,;1.7,3.85,;1.7,2.31,;-.97,-.77,;-2.3,,;-3.63,-.77,;-3.63,-2.31,;-4.97,-3.08,;-6.3,-2.31,;-7.64,-3.08,;-7.64,-4.62,;-8.97,-2.31,;-8.97,-.77,;-10.3,,;-7.64,,;-6.3,-.77,;-4.97,,;-2.3,-3.08,;-2.3,-4.62,;-.97,-2.31,;.37,-3.08,;.37,-4.62,)|

BDBM588048

CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1cccn1C)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.6,(10.3,1.99,;8.9,2.62,;8.74,4.15,;7.65,1.71,;7.81,.18,;6.57,-.72,;5.16,-.1,;5,1.44,;6.24,2.34,;4.07,-1.18,;5.16,-2.27,;3.16,-2.43,;1.7,-1.95,;1.7,-.41,;3.16,.06,;.37,.36,;.37,1.9,;1.61,2.8,;1.14,4.26,;-.4,4.26,;-.88,2.8,;-2.34,2.32,;-.97,-.41,;-2.3,.36,;-3.63,-.41,;-3.63,-1.95,;-4.97,-2.72,;-6.3,-1.95,;-7.64,-2.72,;-7.64,-4.26,;-8.97,-1.95,;-8.97,-.41,;-10.3,.36,;-7.64,.36,;-6.3,-.41,;-4.97,.36,;-2.3,-2.72,;-2.3,-4.26,;-.97,-1.95,;.37,-2.72,;.37,-4.26,)|

BDBM588049

CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1ccsc1)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.6,(10.3,1.99,;8.9,2.62,;8.74,4.15,;7.65,1.71,;7.81,.18,;6.57,-.72,;5.16,-.1,;5,1.44,;6.24,2.34,;4.07,-1.18,;5.16,-2.27,;3.16,-2.43,;1.7,-1.95,;1.7,-.41,;3.16,.06,;.37,.36,;.37,1.9,;1.61,2.8,;1.14,4.26,;-.4,4.26,;-.88,2.8,;-.97,-.41,;-2.3,.36,;-3.63,-.41,;-3.63,-1.95,;-4.97,-2.72,;-6.3,-1.95,;-7.64,-2.72,;-7.64,-4.26,;-8.97,-1.95,;-8.97,-.41,;-10.3,.36,;-7.64,.36,;-6.3,-.41,;-4.97,.36,;-2.3,-2.72,;-2.3,-4.26,;-.97,-1.95,;.37,-2.72,;.37,-4.26,)|

BDBM588050

CN(C)[C@H]1CC[C@@H](CC1)[C@]1(C)Oc2c(O1)c(-c1cncs1)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:9.10,3.2,wD:6.6,(10.3,1.99,;8.9,2.62,;8.74,4.15,;7.65,1.71,;7.81,.18,;6.57,-.72,;5.16,-.1,;5,1.44,;6.24,2.34,;4.07,-1.18,;5.16,-2.27,;3.16,-2.43,;1.7,-1.95,;1.7,-.41,;3.16,.06,;.37,.36,;.37,1.9,;1.61,2.8,;1.14,4.26,;-.4,4.26,;-.88,2.8,;-.97,-.41,;-2.3,.36,;-3.63,-.41,;-3.63,-1.95,;-4.97,-2.72,;-6.3,-1.95,;-7.64,-2.72,;-7.64,-4.26,;-8.97,-1.95,;-8.97,-.41,;-10.3,.36,;-7.64,.36,;-6.3,-.41,;-4.97,.36,;-2.3,-2.72,;-2.3,-4.26,;-.97,-1.95,;.37,-2.72,;.37,-4.26,)|

BDBM172038

CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1

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,)|

BDBM50009672

N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O

BDBM50063670

N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1cc([nH]n1)-c1ccccc1 |r|

BDBM50205627

CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1cnc(N2CCNCC2)c2ccccc12

BDBM50205629

CC(C)N1CC(C)c2c1cc(cc2C(=O)NCc1c(C)cc(C)[nH]c1=O)-c1ccc(CN2CCOCC2)cc1

BDBM50205626

CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(nc1)N1CCNCC1

BDBM50205634

CC1CN(C2CCCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)C#N

BDBM50205635

CC1CN(C2CCCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(nc1)N1CCNCC1

BDBM50205639

CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(CN2CCOCC2)cc1

BDBM50205628

CC(C)N1CC(C)c2c1cc(cc2C(=O)NCc1c(C)cc(C)[nH]c1=O)C#N

BDBM50205636

CC1CN(C2CCCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(CN2CCOCC2)cc1

BDBM50205632

CC(C)N1CC(C)c2c1cc(cc2C(=O)NCc1c(C)cc(C)[nH]c1=O)-c1ccc(nc1)N1CCNCC1

BDBM50246967

CC1=CC(=C(C(=O)N1)CN2CCc3c(cc(c(c3C2=O)Cl)[C@@H](C4COC4)OC)Cl)OC

BDBM50536555

CC(C)N1CCN(CC1)c1ccc(cn1)-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C(C)C)c2c1

BDBM50536556

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cnn2c(cccc12)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536557

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(CC3CCCC3)ncc12)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536560

CC(C)N1CCN(CC1)c1ccc(cn1)-c1cc(C(=O)NCc2c(cc(C)[nH]c2=O)C2CCCC2)c2cnn(C(C)C)c2c1

BDBM50536561

CC(C)N1CCN(CC1)c1ccc(cn1)-c1cc(C(=O)NCc2c(O)cc(C)[nH]c2=O)c2cnn(C(C)C)c2c1

BDBM50536562

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccccn1

BDBM50536584

CCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50075071

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536585

CCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536563

CC(C)N1CCN(CC1)c1ccc(cn1)-c1cc(C(=O)NCc2c(cc(C)[nH]c2=O)C(C)C)c2cnn(C(C)C)c2c1

BDBM50536564

CC(C)N1CCN(CC1)c1ccc(cn1)-c1cc(C(=O)NCc2c(C)cc([nH]c2=O)C(C)(C)C)c2cnn(C(C)C)c2c1

BDBM50536565

CC(C)N1CCN(CC1)c1ccc(cn1)-c1cc(C(=O)NCc2c(C)cc([nH]c2=O)-c2ccccc2)c2cnn(C(C)C)c2c1

BDBM50536586

CCc1c(C)c[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536553

CC(C)N1CCN(CC1)c1ccc(cn1)-c1cc(C(=O)NCc2c(C)c(C)c(C)[nH]c2=O)c2cnn(C(C)C)c2c1

BDBM50536587

CC(C)N1CCN(CC1)c1ccc(cn1)-c1cc(C(=O)NCc2c3CCCCc3c(C)[nH]c2=O)c2cnn(C(C)C)c2c1

BDBM50536568

CC(C)N1CCN(CC1)c1ccc(cn1)-c1cc(C(=O)NCc2cnc[nH]c2=O)c2cnn(C(C)C)c2c1

BDBM50536570

CC(C)N1CCN(CC1)c1ccc(cn1)-c1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c2cnn(C(C)C)c2c1

BDBM50536588

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1nn(C(C)C)c2ccc(cc12)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536558

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(nc2)N2CCN(CC2)C(C)C)c2cnn(C(C)C)c2c1

BDBM50536571

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cccn2c(cnc12)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536572

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536589

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(CC)CC)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536590

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(C)ncc12)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536575

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(CC3CCC3)ncc12)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536576

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(CC3CCCCC3)ncc12)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536591

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(CCC3CCCCC3)ncc12)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536578

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(CCCCCCO)ncc12)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536579

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC)CC1

BDBM50536554

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccccc1

BDBM50536592

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(F)cc1

BDBM50536593

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)C1CCNCC1

BDBM50536582

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)N1CCNCC1

BDBM50536583

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)N1CCCNCC1

BDBM50536567

CC(C)N1CCN(CC1)c1ccc(cn1)-c1cc(C(=O)NCc2c3CCCc3c(C)[nH]c2=O)c2cnn(C(C)C)c2c1

BDBM50536594

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1nn(C(C)C)c2cc(ccc12)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536573

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C1CCCC1)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536580

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(cc1)C(F)(F)F

BDBM50536595

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(NC2CCNCC2)cc2n(ncc12)C(C)C

BDBM50536598

CC(C)Cc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536569

CC(C)N1CCN(CC1)c1ccc(cn1)-c1cc(C(=O)NCc2c(C)[nH]c(=O)[nH]c2=O)c2cnn(C(C)C)c2c1

BDBM50536559

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C1CCCCCC1)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536581

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(F)cn1

BDBM50536596

CCC(C)c1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C(C)C)-c2ccc(nc2)N2CCN(CC2)C(C)C)c(=O)[nH]1

BDBM50536566

CC(C)N1CCN(CC1)c1ccc(cn1)-c1cc(C(=O)NCc2ccc[nH]c2=O)c2cnn(C(C)C)c2c1

BDBM50536601

CC(C)N1CCN(CC1)c1ccc(cn1)-c1cc(C(=O)NCc2cnc(C)[nH]c2=O)c2cnn(C(C)C)c2c1

BDBM50536597

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2nn(cc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536602

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cn2ccc(cc2n1)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536574

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C1CCCCC1)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536603

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(Cc3ccccc3)ncc12)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50536604

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCNCC1

BDBM50536599

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(cn1)C(F)(F)F

BDBM50536600

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Br)cc2n(ncc12)C(C)C

BDBM50536605

CCc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C(C)C)-c2ccc(nc2)N2CCN(CC2)C(C)C)c(=O)[nH]1

BDBM50536577

CCCCC(CC)Cn1ncc2c(cc(cc12)-c1ccc(nc1)N1CCN(CC1)C(C)C)C(=O)NCc1c(CCC)cc(C)[nH]c1=O

BDBM23411

Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1

BDBM50075051

Cc1cc(C)c(CNC(=O)c2cc(cc3n(ncc23)C2CCCC2)-c2ccc(CN3CCOCC3)cc2)c(=O)[nH]1

BDBM50541920

COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)F)CC2)c2ccccc12

BDBM50582389

CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCN(CCCCCCCOc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)CC2)cc1

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,)|

BDBM50590376

CN(C)C1CCC(CC1)C1(C)Oc2c(O1)c(C)c(cc2Cl)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,)|

BDBM50544756

CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c3CCCCc3c(C)[nH]c2=O)c1C)-c1ccc(CN2CCN(C)CC2)cc1

BDBM50594155

CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c3CCCCc3c(C)[nH]c2=O)c1C)-c1ccc(cc1)N1CCN(C)CC1

BDBM50594154

CCN(C1CCCCC1)c1cc(cc(C(=O)NCc2c3CCCCc3c(C)[nH]c2=O)c1C)-c1ccc(CN2CCN(C)CC2)cc1

BDBM50594130

CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2N(NCc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C

BDBM50594132

[H][C@@]1(CC[C@@H](CC1)N(C)C)[C@@]1(C)Oc2c(O1)c(C)c(cc2Br)C(=O)NCc1c(C)cc(C)[nH]c1=O |r,wU:4.7,1.0,wD:10.11,(3.73,.93,;5.06,.16,;6.39,-.61,;7.73,.16,;7.73,1.7,;6.39,2.47,;5.06,1.7,;9.06,2.47,;9.06,4.01,;10.4,1.7,;3.97,-.93,;5.31,-1.7,;3.07,-2.18,;1.6,-1.7,;1.6,-.16,;3.07,.32,;.27,.61,;.27,2.15,;-1.06,-.16,;-1.06,-1.71,;.28,-2.47,;.28,-4.01,;-2.4,.61,;-2.4,2.15,;-3.73,-.16,;-5.06,.6,;-6.4,-.17,;-6.4,-1.71,;-5.06,-2.48,;-7.73,-2.48,;-9.06,-1.71,;-10.4,-2.48,;-9.06,-.17,;-7.73,.6,;-7.73,2.14,)|

BDBM50594116

[H][C@@]1(CC[C@@H](CC1)N(C)C)C1(C)Oc2c(O1)c(Br)c1CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c1c2C |r,wU:4.7,1.0,(4.02,.48,;5.35,-.29,;6.84,-.69,;7.93,.4,;7.53,1.89,;6.04,2.28,;4.95,1.2,;8.62,2.97,;8.22,4.46,;10.11,2.58,;4.26,-1.38,;5.6,-2.15,;3.36,-.14,;1.89,-.61,;1.89,-2.15,;3.36,-2.63,;.57,-2.92,;.57,-4.46,;-.77,-2.16,;-2.11,-2.94,;-3.45,-2.16,;-3.44,-.62,;-4.77,.15,;-6.11,-.62,;-6.1,-2.16,;-4.77,-2.93,;-7.44,-2.93,;-8.77,-2.16,;-10.11,-2.93,;-8.77,-.62,;-7.44,.15,;-7.44,1.69,;-2.11,.15,;-2.11,1.69,;-.77,-.61,;.56,.16,;.56,1.7,)|

BDBM50590382

CCN1CCN(CC1)c1ccc(cn1)-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c2O[C@@](C)(CN3CCOCC3)Oc12

BDBM50075054

CCC(CC)n1ccc2c(cc(cc12)C#N)C(=O)NCc1c(C)cc(C)[nH]c1=O

BDBM50617014

CCC(C)n1ccc2c(cc(cc12)-c1cn(C)c(=O)c2[nH]ccc12)C(=O)NCc1c(C)cc(C)[nH]c1=O

BDBM50617034

CCC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O

BDBM50609427

CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCN(CC2)C(=O)CCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1 |r|

BDBM50648093

CCN(c1cc(-c2ccc([C@@H]3C[C@H]3NCC3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1

BDBM50648106

CCN(c1cc(-c2ccc([C@@H]3C[C@H]3N(CC3CCOCC3)C(=O)OC(C)(C)C)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1

BDBM50652291

C=CC(=O)Nc1cc(F)ccc1-c1cc(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1

BDBM50652922

N[C@H]1CC[C@H](S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2cc(C4CC4)on2)C3)CC1

BDBM378654

O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cn(nn1)C1CC1

BDBM378802

c1cc(ccc1Cn2cc(cn2)CN3CC(C3)NC(=O)c4cn(nn4)C5CC5)Cl

BDBM50653005

CCCc1cc(C)n(C)c(=O)c1CN(C)C(=O)c1cc(-c2ccc(N3CCN(C(C)C)CC3)nc2)cc2c1cnn2C(C)C

BDBM190196

CC(C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O

BDBM50017293

CC[C@H](C)n1cc(C)c2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O |r|