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172 SMILES Strings for Bromodomain testis-specific protein

Compound NameSMILES String
BDBM25121 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM50099333 Cc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
BDBM50099339 Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cc(F)cc(F)c2)n1
BDBM50099347 Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1C
BDBM50099352 Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1
BDBM50156495 O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1
BDBM50337134 CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1
BDBM50332294 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
BDBM50355500 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
BDBM50365262 Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|
BDBM50365463 CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
BDBM50380682 COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C |r,wD:7.7,(46.55,-39.62,;46.55,-41.16,;47.89,-41.93,;49.21,-41.16,;50.55,-41.92,;51.88,-41.15,;52.18,-39.65,;51.41,-38.32,;49.87,-38.32,;52.18,-36.98,;51.41,-35.66,;52.17,-34.32,;53.72,-34.32,;54.49,-35.66,;53.72,-36.99,;53.7,-39.47,;54.46,-38.13,;54.34,-40.87,;53.21,-41.9,;53.22,-43.46,;51.89,-44.23,;50.55,-43.47,;49.22,-44.25,;47.88,-43.47,;46.55,-44.24,;46.51,-45.79,;47.74,-46.72,;45.04,-46.23,;44.16,-44.97,;45.09,-43.74,;44.64,-42.27,)|
BDBM482157 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
BDBM50402023 CC[C@H]1N(C(C)C)c2nc(Nc3ccc(cc3OC)C(=O)N[C@H]3CC[C@@H](CC3)N3CCN(CC4CC4)CC3)ncc2N(C)C1=O |r,wU:2.1,22.22,wD:25.29,(-16.91,4.13,;-15.37,4.13,;-14.97,2.64,;-13.64,3.41,;-13.64,4.95,;-14.97,5.72,;-12.31,5.72,;-12.31,2.64,;-10.97,3.41,;-9.64,2.64,;-8.31,3.41,;-6.97,2.64,;-5.64,3.41,;-4.3,2.64,;-4.3,1.1,;-5.64,.33,;-6.97,1.1,;-8.31,.33,;-8.31,-1.21,;-3.22,.01,;-3.22,-1.53,;-2.13,1.1,;-.79,.33,;.54,1.1,;1.87,.33,;1.87,-1.21,;.54,-1.98,;-.79,-1.21,;3.21,-1.98,;3.21,-3.52,;4.54,-4.29,;5.88,-3.52,;7.21,-4.29,;8.54,-3.52,;8.94,-2.03,;9.71,-3.37,;5.88,-1.98,;4.54,-1.21,;-9.64,1.1,;-10.97,.33,;-12.31,1.1,;-13.64,.33,;-13.64,-1.21,;-14.97,1.1,;-16.31,.33,)|
BDBM50434070 CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
BDBM50435735 COc1cc(ccc1Nc1ncc2N(C)C(=O)C(F)(F)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1
BDBM50044784 Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1
BDBM50028142 C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|
BDBM192755 CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(c3)S(=O)(=O)NC(C)(C)C)n2)cc1
BDBM50103503 COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1cc(C)c(OCCO)c(C)c1
BDBM50096282 COc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
BDBM50098301 Cc1cncc(c1)-c1cnc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
BDBM50139171 CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
BDBM50150755 CCCCn1c2ncn(CC)c2c(=O)[nH]c1=O
BDBM50150069 CCCCc1c(C)nc2nc(SCc3nc4n(CCCC)c(=O)[nH]c(=O)c4n3CC)nn2c1C
BDBM50098305 Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|
BDBM50098311 CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|
BDBM50112336 CC[C@@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM50112335 COc1cc(ccc1Nc1ncc2N(C)C(=O)CN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1
BDBM220447 CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
BDBM50150752 CCn1c(CSc2n[nH]c(N)n2)nc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
BDBM50150754 CCn1cnc2n(Cc3ccc(Cl)cc3)c(=O)[nH]c(=O)c12
BDBM50096300 Cc1cncc(c1)-c1cnc(NC2CCNCC2)c2[nH]c(=O)c(C)cc12
BDBM249277 Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)|
BDBM106150 COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
BDBM106152 CN1c2ccccc2C(=O)N(C)c2ccc(Nc3ccc(cc3)S(N)(=O)=O)nc12
BDBM106153 COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1
BDBM50158624 Cc1[nH]c(c2CCNC(=O)c12)-c1cc(ccc1Oc1ccc(F)cc1F)S(C)(=O)=O
BDBM179481 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)|
BDBM50210164 Cc1nnc2C(CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:14|
BDBM284968 CCS(=O)(=O)Nc1cccc(c1)-c1cn(C)c(=O)c2ccccc12
BDBM342597 Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1
BDBM50239562 CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
BDBM50239563 CCn1c(N)cc(=O)[nH]c1=O
BDBM50239564 CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CC=C)C3 |c:5|
BDBM50239565 CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(Cc1ccccc1)C3 |c:5|
BDBM50239566 CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(OC)cc1)C3 |c:5|
BDBM50239567 CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccc(O)cc1)C3 |c:5|
BDBM50239568 CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(CCc1ccccc1)C3 |c:5|
BDBM50239569 COc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2C |t:10|
BDBM50239570 Cn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:4|
BDBM50239571 CCCn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:6|
BDBM50239572 Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)n(C)c(=O)n2C |t:9|
BDBM50239573 COc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)n(C)c(=O)n2C |t:10|
BDBM50239574 CCn1c2NC3=C(C(c4ccc(cc4)C(F)(F)F)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
BDBM50239575 Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2C1CC1 |t:9|
BDBM50239576 CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)CC3 |c:5|
BDBM50239577 CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)[nH]c1=O)C(=O)N(C)C3 |c:5|
BDBM50239578 CCn1c2NC3=C(C(c4ccc(C)cc4)c2c(=O)n(C)c1=O)C(=O)OC3 |c:5|
BDBM50239579 CON\C=N\c1nc2nccc(-c3cccnc3)n2n1
BDBM50239580 C\N=c1/[nH]c2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(F)cc1
BDBM50239581 O=c1[nH]c(=O)c2c(ccnc2n1CC1CCCO1)-c1ccco1
BDBM50239582 OCC\N=c1\[nH]c2[nH]c(=O)[nH]c(=O)c2n1Cc1cccc2ccccc12
BDBM50239583 CCn1c2ccc(C=O)cc2n(CC)c1=O
BDBM50239584 CCCN1C(c2c(C)[nH]cc2C1=O)c1cc(OC)ccc1OC
BDBM50239585 CCn1c2NC3=C(C(c4ccccc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
BDBM50239586 Cc1ccc(cc1)C1C2=C(COC2=O)Nc2c1c(=O)[nH]c(=O)n2CC(F)(F)F |t:9|
BDBM50239587 CCn1c2nc3COC(=O)c3c(-c3ccc(C)cc3)c2c(=O)[nH]c1=O
BDBM50239588 CCn1c2NC3=C(C(c4ccc(Cl)cc4)c2c(=O)[nH]c1=O)C(=O)OC3 |c:5|
BDBM50239589 CN1c2ccc(Cl)cc2\C(=N/CCC1=O)c1ccc(Cl)cc1 |c:10|
BDBM50239590 CCC1(C)Cc2ccccc2-c2ncnc(O)c12
BDBM50260093 COc1nnc2ccc(nn12)N1CCC(CC1)c1ccc(OCCN2CCN(C)C(=O)[C@H]2C)cc1 |r|
BDBM50251045 CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(O)c(C)c1
BDBM50256397 Cn1cc(-c2cc(ccc2Oc2ccc(F)cc2F)S(C)(=O)=O)c2cc[nH]c(=O)c12
BDBM50455493 CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)-c1cnc(nc1)C(N)=O)C1CC1 |r|
BDBM50458968 COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1=CCN(C)C=C1 |r,c:39,t:34|
BDBM50466254 CN(C)CCN1CCN(CC1)c1nc(NCc2cccc(Cl)c2)c2cc(ccc2n1)-c1ccc(=O)n(C)c1
BDBM50453949 CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1
BDBM50455480 CC(=O)N1[C@H](CN(Cc2ccccc2CO)c2cc(ccc12)C1=CCNCC1)C1CC1 |r,t:25|
BDBM50458956 COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)N1CCCCC1 |r|
BDBM50458960 COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|
BDBM50458961 COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCCCC1 |r|
BDBM50458962 COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCNCC1 |r|
BDBM50458963 COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|
BDBM50458964 COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C(C)C)c2n1)C(=O)NC1CCN(C)CC1 |r|
BDBM50458965 COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NCCN(C)C |r|
BDBM50458966 C[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM50458967 COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|
BDBM50457489 Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccccn1
BDBM50457495 Cn1cc2CN(c3ccc(F)cc3)c3ccc(CS(C)(=O)=O)cc3-c3c[nH]c(=O)c1c23
BDBM50458970 C[C@@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM50458972 CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3N(C)C(=O)CN(C4CCCC4)c3n2)c(OC2CCCC2)c1
BDBM50458973 COC(=O)c1ccc(Nc2ncc3N(C)C(=O)[C@@H](C)N(C4CCCC4)c3n2)c(OC2CCCC2)c1 |r|
BDBM50458951 CCC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM50458952 COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](C)N(C3CCCC3)c2n1)C(=O)NCCc1ccccc1 |r|
BDBM50458954 COc1cc(ccc1Nc1ncc2N(C)C(=O)[C@@H](CC(C)C)N(C3CCOCC3)c2n1)C(=O)NC1CCN(C)CC1 |r|
BDBM50458955 CCC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC3CCCC3)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
BDBM50457496 Cn1cc2-c3cc(CS(C)(=O)=O)ccc3N(Cc3c[nH]c(c23)c1=O)c1ccc(F)cc1F
BDBM50370181 Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O
BDBM50370182 Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O
BDBM50366670 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)|
BDBM439497 CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(F)cc1C)C(C)(C)O
BDBM50504160 CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1
BDBM50514312 COc1ccccc1S(=O)(=O)Nc1ccc2N(C)C(=O)c3cc(nc1c23)-n1cnc(C)c1
BDBM50511231 CN1CCc2c(C1)sc1nc([nH]c(=O)c21)-c1cc(C)c(OCCCCCC(=O)NO)c(C)c1
BDBM50515771 Cc1nnc2CC[C@@H](Nc3ccc(Cl)cc3)c3cc(ccc3-n12)-c1cnn(C)c1 |r|
BDBM50504159 CC1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCCC2)C1=O)C1CC1
BDBM50527569 CCS(=O)(=O)Cc1cnc(Oc2ccc(F)cc2F)c(c1)-c1cc(C)c2n1cc[nH]c2=O
BDBM50527819 COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCN(C)CC2)c(C)c1 |r|
BDBM50527820 COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCCCC2)c(C)c1 |r|
BDBM50527821 COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@H](O)CN2CCCCC2)c(C)c1 |r|
BDBM50527823 COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(C)c(OC[C@@H](O)CN2CCN(C)CC2)c(C)c1 |r|
BDBM50503386 Cc1nnn(C2CCNCC2)c1-c1ccnc(Nc2cc(C)cc(C)c2)n1
BDBM50503387 Cc1cc(C)cc(Nc2nccc(n2)-c2c(nnn2C2CCNCC2)-c2ccc(F)cc2)c1
BDBM50503389 Cc1ccc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1C
BDBM50503390 Cc1cc(C)cc(Nc2nccc(n2)-c2c(CO)nnn2C2CCNCC2)c1
BDBM50529527 COC(=O)N1CCSC(CC1)c1cccs1
BDBM50503388 Cc1cc(C)cc(Nc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1
BDBM474457 C[C@H](O)CNC(=O)C[C@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |c:9|
BDBM474458 C[C@@H](O)CNC(=O)C[C@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(Cl)cc1 |c:9|
BDBM474459 Cc1nnc2[C@@H](CC(=O)NCC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:15|
BDBM474460 Cc1sc-2c(c1C)C(=N[C@H](CC(=O)NCC(F)F)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
BDBM474461 Cc1sc-2c(c1C)C(=N[C@H](CC(=O)NCCC(F)F)c1nnc(C)n-21)c1ccc(Cl)cc1 |c:8|
BDBM50539801 CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O
BDBM50544297 CNC(=O)c1ccc(=O)n(Cc2cc(Br)ccc2F)c1
BDBM50544298 CNC(=O)c1ccc(=O)n(Cc2ccccc2)c1
BDBM50544300 C[C@H](Oc1cc(cc(F)c1NC(C)=O)C(=O)N[C@H]1CC[C@H](O)CC1)c1ccccc1 |wU:20.21,1.0,wD:17.17,(8.38,-8.55,;8.38,-7.03,;9.68,-6.27,;11.08,-7.03,;11.08,-8.55,;12.38,-9.42,;13.78,-8.55,;13.78,-7.03,;15.08,-6.27,;12.38,-6.27,;12.38,-4.64,;13.78,-3.88,;15.08,-4.64,;13.78,-2.36,;12.38,-10.94,;11.08,-11.7,;13.78,-11.7,;15.08,-10.94,;16.48,-11.7,;17.78,-10.94,;17.78,-9.42,;19.07,-8.55,;16.48,-8.55,;15.08,-9.42,;6.98,-6.27,;6.98,-4.64,;5.69,-3.88,;4.28,-4.64,;4.28,-6.27,;5.69,-7.03,)|
BDBM50543359 CNC(=O)c1cc(cn(Cc2ccccc2)c1=O)C(=O)NC1CC1
BDBM50544616 COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)c1ccccc1 |r,wD:25.29,(48.14,-4.72,;47.37,-6.05,;45.83,-6.06,;45.07,-7.39,;45.69,-8.79,;44.56,-9.82,;44.57,-11.37,;43.24,-12.14,;41.9,-11.38,;40.57,-12.15,;39.24,-11.38,;37.9,-12.15,;36.5,-11.52,;36.18,-10.01,;35.46,-12.66,;36.23,-14,;37.74,-13.68,;38.88,-14.71,;39.24,-9.84,;37.9,-9.07,;37.9,-7.53,;40.57,-9.07,;41.9,-9.83,;43.23,-9.06,;43.54,-7.56,;42.51,-6.42,;41,-6.74,;42.98,-4.95,;44.48,-4.64,;44.95,-3.17,;43.92,-2.03,;42.41,-2.36,;41.94,-3.83,)|
BDBM50544335 CNC(=O)c1cc(cn(Cc2cccc3[nH]ccc23)c1=O)C(=O)NC1CC1
BDBM50544597 COCc1nc2cnc3cc(-c4c(C)noc4C)c(OC[C@H]4CCNC4)cc3c2n1[C@H](C)c1ccccc1 |r,wU:21.21,wD:30.35,(16.67,-5.18,;15.91,-6.52,;14.37,-6.52,;13.6,-7.86,;14.23,-9.26,;13.1,-10.29,;13.11,-11.84,;11.78,-12.61,;10.44,-11.84,;9.11,-12.62,;7.77,-11.85,;6.44,-12.61,;5.03,-11.99,;4.71,-10.48,;4,-13.13,;4.77,-14.47,;6.28,-14.15,;7.42,-15.18,;7.78,-10.31,;6.44,-9.54,;6.44,-8,;5.11,-7.23,;3.71,-7.86,;2.68,-6.71,;3.45,-5.38,;4.95,-5.7,;9.1,-9.54,;10.44,-10.3,;11.77,-9.53,;12.08,-8.03,;11.05,-6.88,;9.54,-7.21,;11.52,-5.42,;13.02,-5.1,;13.49,-3.64,;12.46,-2.5,;10.95,-2.83,;10.48,-4.29,)|
BDBM50543339 CNC(=O)c1cccn(Cc2ccccc2)c1=O
BDBM50544938 Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)NCCCCNC(=O)COc1cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c13)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
BDBM518799 OC1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)CC1 |r|
BDBM50545912 Cc1noc(C)c1-c1ccc2nc(nc(N3CCOC[C@@H]3c3ccccc3)c2c1)-c1cnn(CC(C)(C)O)c1 |r|
BDBM50557394 CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(C)c(Nc3ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c3)n2)cc1F
BDBM50558065 C[C@@H]1CN(c2ccc(Cl)cc2)c2cc(ccc2-n2c(C)nnc12)-c1ccc(N)nc1 |r|
BDBM50559467 CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2cccc(F)c2C1=O |r,wU:7.6,wD:10.10,(51.72,-32.35,;52.07,-33.85,;50.87,-34.83,;49.54,-34.06,;48.21,-34.83,;48.21,-36.37,;46.88,-37.14,;46.88,-38.67,;48.21,-39.44,;48.21,-40.98,;46.87,-41.74,;46.87,-43.28,;45.55,-40.97,;45.55,-39.44,;49.54,-37.14,;50.88,-36.37,;52.1,-37.32,;53.61,-36.96,;54.5,-38.23,;56.04,-38.09,;56.69,-36.68,;55.8,-35.42,;56.44,-34.03,;54.26,-35.56,;53.59,-34.17,;54.53,-32.96,)|
BDBM50560174 CN1CC[C@@H](Nc2ncc(-c3ccco3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)C(=O)NC1CCCCC1
BDBM50575643 CCNC(=O)c1ccc(OCc2cccc(C)n2)c(c1)-c1cn(C)nn1
BDBM50575644 CCNC(=O)c1cc(Cc2cccc3[nH]ccc23)nc(c1)-c1cn(C)nn1
BDBM50576426 CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)n(n1)[C@@H](C)c1ccccc1 |r,wU:10.9,19.21,wD:13.13,(22.91,-23.78,;24.32,-23.16,;25.57,-24.06,;26.97,-23.43,;25.41,-25.6,;26.55,-26.62,;25.92,-28.03,;26.69,-29.36,;25.92,-30.69,;28.23,-29.36,;29,-30.69,;30.54,-30.69,;31.31,-32.02,;30.54,-33.36,;31.31,-34.69,;29,-33.36,;28.23,-32.02,;24.4,-27.87,;24.07,-26.37,;23.36,-29.01,;23.84,-30.47,;21.86,-28.69,;21.38,-27.23,;19.88,-26.9,;18.85,-28.05,;19.32,-29.52,;20.83,-29.83,)|
BDBM50576427 CNC(=O)c1cc(C(=O)N[C@H]2CC[C@H](O)CC2)c(o1)[C@@H](C)c1ccccc1 |r,wU:10.9,19.21,wD:13.13,(37.7,-21.47,;37.72,-23.01,;39.06,-23.76,;40.13,-23.13,;39.09,-25.31,;40.34,-26.21,;39.89,-27.68,;40.8,-28.93,;40.3,-30.06,;42.33,-28.74,;43.08,-30.04,;44.58,-30.04,;45.33,-31.34,;44.58,-32.63,;45.33,-33.93,;43.08,-32.63,;42.33,-31.34,;38.35,-27.68,;37.84,-26.23,;37.45,-28.93,;38.07,-30.3,;35.91,-28.79,;35,-30.05,;33.47,-29.9,;32.83,-28.49,;33.73,-27.23,;35.27,-27.39,)|
BDBM50576438 [H][C@@]12C[C@@H](O)C[C@]1([H])[C@H]2NC(=O)c1cc2c(OC[C@@]2(C)c2ccccc2)c(c1)C(=O)NC |r|
BDBM50566697 CNC(=O)c1cc(cc(n1)C(O)c1ccccc1)C(=O)N[C@H]1C[C@@H]1C |r|
BDBM50569836 Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(cc1)C(=O)NO)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:8|
BDBM543516 CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(NS(=O)(=O)C(C)(C)C)c3)n2)cc1
BDBM50582040 CN(C)CCN1CCC(CC1)n1nnc(C)c1-c1cccc(Oc2cc(C)cc(C)c2)n1
BDBM50586865 CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C)C1=O)N(C)c1ccc(cc1OC)-c1nc2c(cccc2[nH]1)C(N)=O |r|
BDBM50584382 FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCC[C@H]2CN2CCOCC2)cc1 |r|
BDBM592405 Cc1nnc2C(Cc3nnc(o3)C3CC3)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:17|
BDBM592506 CCOCc1nnc(CC2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)o1 |c:10|
BDBM592507 CC(C)c1nnc(CC2N=C(c3c(C)c(C)sc3-n3c(C)nnc23)c2ccc(Cl)cc2)o1 |c:9|
BDBM592508 Cc1nnc2C(Cc3nnc(o3)C(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:17|
BDBM601876 CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3cccc(NS(=O)(=O)C(C)(C)C)c3)n2)cc1F
BDBM601877 CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c3)n2)cc1F
BDBM50584925 [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11|
BDBM601857 CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c3)n2)cc1
BDBM50587013 COc1cc(OC)c2c(c1)nc([nH]c2=O)-c1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1
BDBM50594437 Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)COCCOCCOCC(=O)N3CCC(CC3)NC(=O)c3ccc(Nc4ncc(C)c(Nc5ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c5)n4)cc3F)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1
BDBM50594438 Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)COCCOCC(=O)N3CCC(CC3)NC(=O)c3ccc(Nc4ncc(C)c(Nc5ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c5)n4)cc3F)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1
BDBM50594439 Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)CCOCCOCCOCCOCCC(=O)N3CCC(CC3)NC(=O)c3ccc(Nc4ncc(C)c(Nc5ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c5)n4)cc3F)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1
BDBM50594440 Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)CCOCCOCCOCCOCCOCCC(=O)N3CCC(CC3)NC(=O)c3ccc(Nc4ncc(C)c(Nc5ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c5)n4)cc3F)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1
BDBM50594441 Cc1cnc(Nc2ccc(C(=O)NC3CCN(CC3)C(=O)CCOCCOCCOCCNC(=O)c3cc(Nc4nc(Nc5ccc(C(=O)NC6CCNCC6)c(F)c5)ncc4C)cc(NS(=O)(=O)C(C)(C)C)c3)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1
BDBM50594434 Cn1cc(-c2cccc(c2)N2CCCC2=O)c2ccccc2c1=O
BDBM50594436 CCS(=O)(=O)Nc1ccc(OCCOCCOCCOCCOc2ccc(NS(=O)(=O)CC)cc2-c2cn(C)c(=O)c3ccccc23)c(c1)-c1cn(C)c(=O)c2ccccc12
BDBM50594435 CCS(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(c1)-c1cn(C)c(=O)c2ccccc12
BDBM50603097 C[C@H]1C[C@@H](Nc2ncc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O |r|
BDBM50603594 CN1C=C(C2C=CNC2C1=O)c1ccc2ccn(Cc3ccccn3)c2c1 |c:2,5|
BDBM50602864 CO[C@H]1CC[C@@H](CC1)n1c(nc2cc(ccc12)-c1c(C)noc1C)[C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1 |r,wU:24.27,5.8,wD:2.1,(-5.83,-7.85,;-6.97,-6.82,;-6.65,-5.31,;-5.19,-4.84,;-4.87,-3.33,;-6.01,-2.3,;-7.48,-2.77,;-7.8,-4.28,;-5.69,-.79,;-4.29,-.17,;-4.45,1.37,;-5.95,1.69,;-6.72,3.02,;-8.26,3.02,;-9.03,1.69,;-8.26,.35,;-6.72,.35,;-9.03,4.35,;-8.41,5.76,;-6.9,6.08,;-9.55,6.79,;-10.89,6.02,;-10.57,4.51,;-11.6,3.37,;-2.95,-.94,;-2.95,-2.48,;-1.62,-3.25,;-.29,-2.48,;-.29,-.94,;1.05,-.17,;-1.62,-.17,;-1.62,1.37,;-.29,2.14,;-.29,3.68,;-1.62,4.45,;-1.62,5.99,;-2.95,3.68,;-4.29,4.45,;-2.95,2.14,)|
BDBM50604624 Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CCCC1)C(C)(C)O
BDBM50604625 Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2cc(oc12)-c1cnc([nH]1)C1CCCCC1)C(C)(C)O