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239 SMILES Strings for LIM domain kinase 2

Compound NameSMILES String
BDBM21 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
BDBM2579 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
BDBM4552 COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
BDBM4779 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
BDBM4814 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
BDBM4851 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
BDBM5445 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
BDBM5446 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
BDBM5447 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
BDBM5655 CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
BDBM5931 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
BDBM6568 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)|
BDBM6866 Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
BDBM7533 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
BDBM12621 COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N
BDBM13336 CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13216 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
BDBM13530 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
BDBM13531 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
BDBM13533 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
BDBM13534 CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
BDBM13535 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
BDBM15138 Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
BDBM15244 Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)|
BDBM16673 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
BDBM17055 CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
BDBM21079 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
BDBM25617 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
BDBM25628 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
BDBM24654 Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
BDBM24773 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
BDBM25084 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
BDBM25117 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
BDBM25118 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
BDBM25013 CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
BDBM25028 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
BDBM25045 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
BDBM27817 CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
BDBM26474 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
BDBM26300 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1
BDBM25919 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
BDBM31340 COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
BDBM31085 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
BDBM31088 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
BDBM31090 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM31093 OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
BDBM31095 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
BDBM32362 COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1
BDBM36409 CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM50110208 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
BDBM50128285 Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
BDBM50132260 Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
BDBM50161957 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
BDBM50184807 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
BDBM50193995 C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
BDBM50237710 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
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|
BDBM50242742 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
BDBM50273636 NC(=O)c1ccc(Nc2cc(n[nH]2)-c2ccc(F)cc2)cc1
BDBM50306682 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
BDBM50308060 C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
BDBM50300690 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
BDBM50299583 C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
BDBM50299584 C[C@H]1CN(CCN1C(NC#N)=Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
BDBM50299585 C[C@H]1CN(CCN1C(=O)Nc1ccc(F)c(Br)c1)c1ncnc2[nH]cc(C)c12 |r|
BDBM50299586 C[C@H]1CN(CCN1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r|
BDBM50299587 Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3ccccc3)c12
BDBM50299588 Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3ccccc3C)c12
BDBM50299589 Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3cccc(C)c3)c12
BDBM50299590 Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3ccc(C)cc3)c12
BDBM50299591 COc1cccc(NC(=O)C2CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50299592 COc1ccc(NC(=O)C2CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1
BDBM50299593 Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3cccc(Oc4ccccc4)c3)c12
BDBM50299594 Cc1c[nH]c2ncnc(N3CCC(CC3)C(=O)Nc3cccc(Br)c3)c12
BDBM50299595 Cc1c[nH]c2ncnc(N3CCN(CC3)C(=O)Nc3cccc(C)c3)c12
BDBM50299596 COc1cccc(NC(=O)N2CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50299597 Cc1c[nH]c2ncnc(N3CCN(CC3)C(=O)Nc3cccc(Br)c3)c12
BDBM50299598 Cc1c[nH]c2ncnc(N3CCN(CC3)C(NC#N)=Nc3cccc(Br)c3)c12 |w:19.20|
BDBM50299599 C[C@H]1CN(CCN1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r|
BDBM50299600 C[C@@H]1CN(CCN1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r|
BDBM50299601 CC(C)[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:13.14|
BDBM50299602 C[C@H]1CN([C@H](C)CN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:12.13|
BDBM50299603 C[C@H]1CN(C[C@@H](C)N1C(=O)Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r|
BDBM50299604 Cc1c[nH]c2ncnc(N3CC4CCC(C3)N4C(=O)Nc3cccc(Br)c3)c12 |TLB:8:9:16:12.13|
BDBM50299605 Cc1c[nH]c2ncnc(N3CC4CC3CN4C(NC#N)=Nc3cccc(Br)c3)c12 |w:20.22|
BDBM50299606 CC1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]ccc12 |w:11.12|
BDBM50299607 C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(Cl)c12 |r,w:11.12|
BDBM50299608 C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1ncnc2[nH]c(C)cc12 |r,w:11.12|
BDBM50299609 C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Br)c1)c1nc(Cl)nc2[nH]ccc12 |r,w:11.12|
BDBM50299610 C[C@H]1CN(CCN1C(NS(C)(=O)=O)=Nc1cccc(Br)c1)c1ncnc2[nH]cc(C)c12 |r,w:13.14|
BDBM50299611 C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(Cl)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
BDBM50299612 C[C@H]1CN(CCN1C(=O)Nc1cccc(Cl)c1)c1ncnc2[nH]cc(C)c12 |r|
BDBM50299613 C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(F)c1)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
BDBM50299614 C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)C(F)(F)F)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
BDBM50299615 C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)C#N)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
BDBM50299616 C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)C(C)(C)C)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
BDBM50299617 CC(C)NC(=O)c1cccc(c1)N=C(NC#N)N1CCN(C[C@@H]1C)c1ncnc2[nH]cc(C)c12 |r,w:12.12|
BDBM50299618 CC(C)NC(=O)c1cccc(NC(=O)N2CCN(C[C@@H]2C)c2ncnc3[nH]cc(C)c23)c1 |r|
BDBM50299619 C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)C(=O)NCCO)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
BDBM50299620 C[C@H]1CN(CCN1C(=O)Nc1cccc(c1)C(=O)NCCO)c1ncnc2[nH]cc(C)c12 |r|
BDBM50299621 C[C@H]1CN(CCN1C(=O)Nc1cccc(c1)C(=O)NC(CO)CO)c1ncnc2[nH]cc(C)c12 |r|
BDBM50299622 C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)C(=O)NCCN(C)C)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
BDBM50299623 CC(C)NS(=O)(=O)c1cccc(c1)N=C(NC#N)N1CCN(C[C@@H]1C)c1ncnc2[nH]cc(C)c12 |r,w:13.13|
BDBM50299624 C[C@H]1CN(CCN1C(NC#N)=Nc1cccc(c1)S(=O)(=O)NCCO)c1ncnc2[nH]cc(C)c12 |r,w:11.12|
BDBM50309910 COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
BDBM50327390 CC(C)Nc1ncc(s1)-c1cc(nc(n1)-c1ccccn1)-c1ccccc1Cl
BDBM50327391 CC(C)Nc1ncc(s1)-c1cc(nc(NCCN(C)C)n1)-c1ccccc1Cl
BDBM50322823 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 |r|
BDBM50326053 CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
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|
BDBM50331096 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50355494 COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
BDBM50355495 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1
BDBM50355496 O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
BDBM50355497 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
BDBM50355499 CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
BDBM50355500 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
BDBM50355501 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
BDBM50355504 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
BDBM50390774 CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(O)cc1Cl
BDBM50390775 CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC)cc1Cl
BDBM50390776 CCCCCOc1ccc(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NCCC)s1
BDBM50390777 CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC(CC)CC)cc1Cl
BDBM50390778 CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC2CCCC2)cc1Cl
BDBM50390779 CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl
BDBM50390780 CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OCCC)cc1Cl
BDBM50390781 CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC2CCCC2)cc1Cl
BDBM50390782 CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC(CC)CC)cc1Cl
BDBM50390783 CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OC)ccc1Cl
BDBM50390784 CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC)ccc1Cl
BDBM50390785 CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1cc(OCCC2CCCCC2)ccc1Cl
BDBM50390786 CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)OC)s1
BDBM50390787 CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
BDBM50390788 CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)C(C)C)s1
BDBM50390789 CCC(CC)Oc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(=O)NC)s1
BDBM50390790 CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
BDBM50390791 CCNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
BDBM50390792 COc1cc(C)c(c(C)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
BDBM50390793 COC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(C)cc(OC)cc1C
BDBM50390794 CNC(=O)Nc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1c(Cl)cc(OC)cc1Cl
BDBM50390795 COc1cc(Cl)c(c(Cl)c1)-c1cc(nc(n1)-c1cnccn1)-c1cnc(NC(C)=O)s1
BDBM50390796 CCCNc1ncc(s1)-c1cc(nc(n1)-c1cnccn1)-c1ccc(OC(CC)CC)cc1C
BDBM50401152 CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
BDBM50440018 CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)|
BDBM50043613 CN(CC1CCN(CC1)C(C)=O)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM50044009 CN(C)C(=O)Oc1cccc(NC(=O)C2(C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50044013 C[C@@H]1CN(CC[C@@H]1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r|
BDBM50044083 C[C@H](NC(=O)N1CCN(C[C@@H]1C)c1ncnc2[nH]cc(C)c12)c1ccccc1 |r|
BDBM50044087 COc1cccc(NC(=O)N2CCN(C[C@@H]2C)c2ncnc3[nH]cc(C)c23)c1 |r|
BDBM50043616 CN(Cc1ccc(CCC(O)=O)cc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM50043617 COCCOc1ccc(CN(C)C(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2)cc1
BDBM50043618 CCc1ccc(CN(C)C(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2)cc1
BDBM50043619 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)N(C)c1ccccc1
BDBM50043621 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C)(C)C
BDBM50043622 COc1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)N(C)Cc2ccccc2)c1
BDBM50043624 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(Cl)c1
BDBM50043625 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(F)c1
BDBM50043626 COc1ccc(NS(=O)(=O)c2ccc(cc2)C(=O)N(C)Cc2ccccc2)cc1
BDBM50043627 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(C)cc1
BDBM50043628 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(F)cc1
BDBM50043629 COc1ccccc1NS(=O)(=O)c1ccc(cc1)C(=O)N(C)Cc1ccccc1
BDBM50043630 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1C
BDBM50043631 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1F
BDBM50043632 CN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
BDBM50043416 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM50043418 O=S(=O)(Nc1ccccc1)c1ccc(cc1)-c1ncccc1Cc1ccccc1
BDBM50043419 O=S(=O)(Nc1ccccc1)c1ccc(cc1)-c1nccn1Cc1ccccc1
BDBM50043421 O=S(=O)(Nc1ccccc1)c1ccc(cc1)-c1ocnc1Cc1ccccc1
BDBM50043422 NCCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM50043423 NCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM50043484 CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM50043501 O=C(N(CCC#N)Cc1ccccc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM50043509 OCCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM50043524 C[C@@H](N(C)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1)c1ccccc1 |r|
BDBM50043543 C[C@H](N(C)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1)c1ccccc1 |r|
BDBM50043551 CC(C)N1CCC(CN(C)C(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2)CC1
BDBM50043554 CN(CC1CCN(C)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM50043562 CN(CC1CCNCC1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM50043609 CN(CC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM50043614 CN(Cc1ccc(cc1)C1CCNCC1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM50043615 CN(Cc1ccc(cc1)C(O)CO)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM60665 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
BDBM50026612 COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
BDBM50044003 COCCOCC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
BDBM50044004 CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50044005 CN(C)CCC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
BDBM50044006 CN(C)C(=O)Oc1cccc(NC(=O)C2(Cc3c[nH]cn3)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50044007 CN(C)C(=O)Oc1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1
BDBM50044008 CN(C)C(=O)Oc1cccc(NC(=O)C2(O)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50044010 CN(C)C(=O)Oc1cccc(NC(=O)C2(CC=C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50044011 Cc1c[nH]c2ncnc(N3CCC(C)(CC3)C(=O)Nc3cccc(c3)C(C)(C)C)c12
BDBM50044012 Cc1c[nH]c2ncnc(N3CCC(CC=C)(CC3)C(=O)Nc3cccc(Cl)c3)c12
BDBM50044014 C[C@H]1CN(CC[C@@H]1C(=O)Nc1cccc(OC(=O)N(C)C)c1)c1ncnc2[nH]cc(C)c12 |r|
BDBM50044015 CC(C)Oc1cccc(NC(=O)C2CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50044016 Cc1c[nH]c2ncnc(N3CCN4C(CN(C4=O)c4ccccc4)C3)c12
BDBM50044017 CN(C)C(=O)Oc1cccc(NC(=O)N2CCN(CC2C(C)(C)C)c2ncnc3[nH]cc(C)c23)c1
BDBM50044018 CN(C)C(=O)Oc1cccc(NC(=O)N2CCC(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50044082 C[C@@H](NC(=O)N1CCN(C[C@@H]1C)c1ncnc2[nH]cc(C)c12)c1ccccc1 |r|
BDBM50044085 C[C@H]1CN(CCN1C(=O)Cc1ccccc1)c1ncnc2[nH]cc(C)c12 |r|
BDBM50044086 C[C@H]1CN(CCN1C(=O)Nc1ccccc1)c1ncnc2[nH]cc(C)c12 |r|
BDBM50043417 O=S(=O)(Nc1ccccc1)c1ccc(cc1)-c1nccnc1Cc1ccccc1
BDBM50043420 O=c1ccnc(-c2ccc(cc2)S(=O)(=O)Nc2ccccc2)n1Cc1ccccc1
BDBM50043510 CCN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
BDBM50043620 CN(C)c1cccc(NS(=O)(=O)c2ccc(cc2)C(=O)N(C)Cc2ccccc2)c1
BDBM50043623 CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc(C)c1
BDBM60589 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
BDBM50117299 COC(=O)c1ccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)cc1
BDBM50117302 COC(=O)c1cccc(NC(=O)C2(CCN(CC2)c2ncnc3[nH]cc(C)c23)N(C)C)c1
BDBM50117303 COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50117315 COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50117370 CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
BDBM50117489 COC(=O)c1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50117500 CN(C)CC1(CCN(CC1)c1ncnc2[nH]c(C)c(C)c12)C(=O)Nc1cccc(OC(=O)N(C)C)c1
BDBM50117501 COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)c(C)c23)c1
BDBM50117503 COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(F)c23)c1
BDBM50117505 COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(NC(C)=O)n2)c1
BDBM50117581 COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(NC(C)=O)ncn2)c1
BDBM50117598 COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccnc(N)n2)c1
BDBM50117625 COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2cc(N)ncn2)c1
BDBM50117626 COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ccncn2)c1
BDBM50117627 COC(=O)c1cccc(NC(=O)C2(N)CCN(CC2)c2ncnc3[nH]ccc23)c1
BDBM50117629 COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ccnc3[nH]ncc23)c1
BDBM50124354 Oc1ccc(Nc2ncc(s2)-c2ccncc2-c2ccccc2Cl)cc1
BDBM50124355 CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccc(C)cc1Cl
BDBM50117631 COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ccc23)c1
BDBM50117632 CN(C)CC1(CCN(CC1)c1ncnc2[nH]cc(C)c12)C(=O)Nc1cccc(c1)C(=O)OCC#C
BDBM50117633 CCC(C)OC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50117634 CC(C)OC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50117635 CCCOC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50117301 COC(=O)COc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50135286 Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
BDBM50124353 COc1ccc(-c2cnccc2-c2cnc(NC(=O)C(C)C)s2)c(c1)C(F)(F)F
BDBM50117504 COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C#N)c23)c1
BDBM50117300 COC(=O)Cc1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
BDBM50117502 COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]c(C)cc23)c1
BDBM50117628 COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3NC(=O)Cc23)c1
BDBM50117630 COC(=O)c1cccc(NC(=O)C2(CN(C)C)CCN(CC2)c2ncnc3[nH]ncc23)c1