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487 SMILES Strings for Kallikrein-1 (KLK1)

Compound NameSMILES String
BDBM50012996 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCN)C=O |r|
BDBM50012999 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN)C=O |r|
BDBM50013008 [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O |r|
BDBM50013007 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
BDBM50012998 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C=O |r|
BDBM50013004 CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=O)C=O |r|
BDBM50034582 Br.[H][C@@]12CC3CC(C3(C)C)[C@]1(C)OB(O2)C(CCC\C(S)=N\N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |TLB:11:10:7:5,THB:12:10:7:5,14:2:7:5|
BDBM50031706 [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
BDBM50031707 C\C(=C/c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N)C(=O)N(CC=C)CC(O)=O
BDBM50031708 CCOC(=O)CN(CC=C)C(=O)C(\C)=C\c1ccc(cc1)C(=O)Oc1ccc(cc1)C(N)=N
BDBM50031709 [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc(-[#6]-[#6](-[#8])=O)cc1
BDBM50034573 CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
BDBM50034574 COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
BDBM50034576 CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
BDBM50034577 CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
BDBM50034579 CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
BDBM50034580 CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1
BDBM50034581 COCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
BDBM50034583 CCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1
BDBM50034585 CC1(C)C2CC1[C@]1(C)OB(O[C@@H]1C2)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
BDBM50060023 NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C=O)c1
BDBM50060017 CS(=O)(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50060019 Cc1c(C)c(c(C)c2CCC(C)(C)Oc12)S(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O
BDBM50060024 NC(=N)c1cccc(C[C@@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CCO)CC2)c1
BDBM50060029 CC(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50060031 CN1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50060035 CN(C)C(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
BDBM50060046 CC1(C)C2CCC1(CCS(=O)(=O)N[C@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)S(C)(=O)=O)C(=O)C2 |TLB:37:36:1:5.4|
BDBM50063698 [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
BDBM50063703 Ic1ccccc1-c1nc2ccccc2c(=O)o1
BDBM50071563 CC1(C)C2CC1C1=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc3ccc(cc3)C(N)=O)n3n(C1C2)c(=O)n(Cc1ccc(Cl)c(Cl)c1)c3=O |t:7|
BDBM50071572 COC(=O)C1C(CCc2ccccc2)=CC(C(=O)NC(CCCCN)C(=O)C(=O)NCCc2ccc(cc2)C(N)=O)n2n1c(=O)n(Cc1cc(F)ccc1F)c2=O |c:14|
BDBM50074915 CC(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F |TLB:15:14:17:10.9.11,15:10:17:14.16.13,11:12:16:10.9.15,THB:11:10:16:12.17.13|
BDBM50074916 CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1 |TLB:12:13:17:11.10.16,16:11:18:15.17.14,16:15:18:11.10.12,THB:12:11:17:13.18.14|
BDBM50074917 CC(C)(C)[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F
BDBM50074918 CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F |TLB:12:13:17:11.10.16,THB:14:15:10:13.18.12,14:13:10:15.17.16,12:11:17:13.18.14|
BDBM50074919 CC(C)(C)[C@@H](NC(=O)N1CCOCC1)C(=O)NCC(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F
BDBM50074920 NC(=[NH2+])Nc1ccc(CC(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCc2ccccc2)NC(=O)OC23CC4CC(CC(C4)C2)C3)C(=O)C(F)(F)F)cc1 |TLB:44:43:46:39.38.40,44:39:46:43.45.42,40:41:45:39.38.44,THB:40:39:45:41.46.42|
BDBM50074921 CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1
BDBM50079380 NCCCCCCN(CCCCCCN)C1CSCCC1=O
BDBM50084637 CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCC(O)=O
BDBM50090226 CC1CNc2c(C1)cccc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCO)CC1
BDBM50090231 CCC1CCN(CC1)C(=O)C(Cc1nc2ccccc2s1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12
BDBM50114432 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CO
BDBM50114433 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
BDBM50114434 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1F
BDBM50114435 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C#N
BDBM50114436 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Cl)ccc2c1
BDBM50114437 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=O
BDBM50114438 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1Br
BDBM50114439 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(Br)ccc2c1
BDBM50114441 COc1ccc2cc(ccc2c1)-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
BDBM50114442 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1O
BDBM50114443 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1S(N)(=O)=O
BDBM50114444 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1CN
BDBM50114445 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2cc(O)ccc2c1
BDBM50114446 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1ccc2ccccc2c1
BDBM50114447 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(O)=O
BDBM50114448 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C1=NCCN1 |t:40|
BDBM50114449 COC(=O)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
BDBM50114450 Cc1cc(C(=O)Nc2ccc(cc2)-c2ccccc2S(N)(=O)=O)n(n1)-c1cc2ccccc2cc1C(N)=N
BDBM50114452 CN(C)C(=N)c1cc2ccccc2cc1-n1nc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
BDBM50114455 NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
BDBM50114479 NC(=N)c1cccc(Oc2ccccc2NC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
BDBM50138663 NC(=N)c1ccc2ccccc2c1
BDBM50138670 NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1
BDBM50142087 NS(=O)(=O)c1ccccc1-c1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cn1
BDBM50140360 CN(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2S(C)(=O)=O)c(F)c1
BDBM50140367 Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2S(C)(=O)=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
BDBM50140370 Cc1cc(C(=O)Nc2ccc(cc2F)N2CCOCC2=O)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
BDBM50140380 Cc1cc(C(=O)Nc2ccc(cc2F)-c2ccccc2CN)n(n1)-c1cc2ccccc2cc1F
BDBM50140386 CN(C)Cc1ccccc1-c1ccc(NC(=O)c2cc(C)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1
BDBM50140407 CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1
BDBM50140413 CN(C)C(=N)c1ccc(NC(=O)c2cc(nn2-c2cc3ccccc3cc2F)C(F)(F)F)c(F)c1
BDBM50140416 CN1CCN=C1c1ccc(NC(=O)c2cc(C)nn2-c2cc3ccccc3cc2F)c(F)c1 |c:4|
BDBM50140424 CN(C)C(=N)c1ccc(NC(=O)c2cc(C)nn2-c2ccc3cc(Cl)ccc3c2)c(F)c1
BDBM50144092 CN1CCN=C1c1ccc(cc1)C(=O)N1CCN(CC1)S(=O)(=O)c1cc2cc(Cl)ccc2[nH]1 |c:4|
BDBM50147086 NC(=N)c1ccc2cccc(Nc3ncccn3)c2c1
BDBM50147087 COc1ccc2ccc(cc2c1-c1ccoc1)C(N)=N
BDBM50147084 NC(=N)c1ccc2cc(cc(C3CCOC3)c2c1)C(=O)Nc1ccccc1
BDBM50147085 COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
BDBM50147091 CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccccc1
BDBM50147088 NC(=N)c1ccc2cc(cc(-c3ccoc3)c2c1)C(=O)Nc1ccccc1
BDBM50147089 CC(C)Oc1cccc(NC(=O)c2cc(C3CCOC3)c3cc(ccc3c2)C(N)=N)c1
BDBM50147090 COc1ccc2ccc(cc2c1C1CCOC1)C(N)=N
BDBM50147092 NC(=N)c1ccc2cccc(N)c2c1
BDBM50147093 NCc1ccc(NC(=O)c2cc(Nc3ncccn3)c3cc(ccc3c2)C(N)=N)cc1
BDBM50147094 CCSc1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1ccccc1
BDBM50147095 CCS(=O)(=O)c1cc(co1)-c1cc(cc2ccc(cc12)C(N)=N)C(=O)Nc1cccc(OC2CCCC2)c1
BDBM50147096 NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C(=O)Nc1ccccc1
BDBM50157082 NC(=N)c1ccc2cc(\C=C\c3ccccc3)ccc2c1
BDBM50157083 NC(=N)c1ccc2cc(CCc3ccccc3)cc(Nc3ncccn3)c2c1
BDBM50157084 NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(-c3ccoc3)c2c1
BDBM50157085 NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccccc1
BDBM50157086 NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(Br)c2c1
BDBM50157087 NC(=N)c1ccc2cc(cc(Nc3ncccn3)c2c1)C1CC1c1ccccc1
BDBM50157088 CC(C)Oc1cccc(c1)C1CC1c1ccc2cc(ccc2c1)C(N)=N
BDBM50157089 NC(=N)c1ccc2cc(cc(Br)c2c1)C1CC1c1ccccc1
BDBM50157090 CC(C)C1N(C)CCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N
BDBM50157092 NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccc2CCN=C(C3CCCCC3)c2c1 |t:25|
BDBM50157093 CN1CCc2ccc(cc2C1C1CCCCC1)C1CC1c1ccc2cc(ccc2c1)C(N)=N
BDBM50157094 NC(=N)c1ccc2cc(\C=C\c3ccccc3)cc(Nc3ncccn3)c2c1
BDBM50157096 CC(C)C1=NCCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|
BDBM50157097 NC(=N)c1ccc2cc(ccc2c1)C1CC1c1ccc2CCN=C(c3ccccc3)c2c1 |t:25|
BDBM50157098 CC(C)C1=NCCc2ccc(cc12)[C@H]1CC1c1ccc2cc(ccc2c1)C(N)=N |t:3|
BDBM50157099 NC(=N)c1ccc2cc(cc(Br)c2c1)C(=O)Nc1ccccc1
BDBM50164263 NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2cnccc12
BDBM50292533 Oc1ccc(cc1)[C@@H]1Oc2cc(O)cc(O)c2C(=O)[C@H]1c1c(O)cc(O)c2C(=O)CC(Oc12)c1ccc(O)c(O)c1 |r|
BDBM50359552 CC[C@H](C)[C@H]1NC(=O)C[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(C)=O |r,t:36|
BDBM50359553 CC[C@H](C)[C@H]1NC(=O)C[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(=O)CCCCCN |r,t:36|
BDBM50366642 CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N1CCC(CCO)CC1 |r|
BDBM50366643 CC1(C)CNc2c(C1)cccc2S(=O)(=O)N[C@@H](CSCCCN)C(=O)N1CCC(CCF)CC1 |r|
BDBM50379837 NC(=N)c1cc(Br)c(OCCCCCOc2c(Br)cc(cc2Br)C(N)=N)c(Br)c1
BDBM50379838 NC(=N)c1ccc(OCc2ccc(COc3ccc(cc3I)C(N)=N)cc2)c(I)c1
BDBM50369774 NC(=N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1 |t:17|
BDBM50368379 [#7]-[#6@H](-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r|
BDBM50396164 CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
BDBM50396165 NC1CCC(C[C@H](NC(=O)Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)CC1 |r,wU:20.20,wD:26.26,6.6,(41.41,-16.5,;41.42,-14.96,;40.09,-14.18,;40.09,-12.65,;41.42,-11.88,;41.42,-10.34,;42.75,-9.57,;42.75,-8.03,;41.41,-7.27,;40.08,-8.04,;41.41,-5.73,;40.08,-4.96,;38.74,-5.73,;37.41,-4.96,;37.41,-3.42,;38.74,-2.65,;40.07,-3.41,;44.08,-10.34,;44.09,-11.88,;45.42,-9.57,;46.75,-10.35,;48.09,-9.59,;49.42,-10.37,;46.74,-11.9,;45.4,-12.66,;48.07,-12.68,;48.06,-14.22,;46.72,-14.98,;46.71,-16.53,;45.37,-17.29,;45.36,-18.84,;44.02,-19.6,;42.68,-18.82,;44.01,-21.14,;49.39,-15,;49.38,-16.55,;50.74,-14.24,;42.76,-12.64,;42.75,-14.19,)|
BDBM50396166 NCC1CCC(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)CC1 |r,wU:38.39,11.19,wD:49.50,7.7,32.33,(6.39,-19.45,;7.72,-18.69,;7.73,-17.15,;6.4,-16.37,;6.4,-14.84,;7.73,-14.07,;7.72,-12.53,;9.06,-11.76,;9.05,-10.22,;7.72,-9.45,;6.39,-10.22,;7.72,-7.91,;9.05,-7.14,;10.38,-7.91,;10.38,-9.44,;11.71,-10.21,;13.04,-9.44,;13.04,-7.89,;11.7,-7.13,;6.38,-7.14,;6.38,-5.6,;7.71,-4.83,;5.04,-4.83,;3.71,-5.61,;2.37,-4.83,;2.37,-3.29,;3.7,-2.52,;5.04,-3.28,;6.37,-2.51,;10.39,-12.53,;10.39,-14.07,;11.72,-11.75,;13.06,-12.52,;13.06,-14.06,;14.39,-14.83,;14.39,-11.75,;14.39,-10.21,;15.72,-12.52,;17.06,-11.75,;17.06,-10.21,;18.4,-9.44,;18.4,-7.9,;19.73,-7.13,;19.73,-5.59,;18.4,-4.82,;21.06,-4.82,;18.4,-12.52,;18.4,-14.06,;19.73,-11.75,;21.06,-12.52,;21.06,-14.06,;22.4,-14.83,;22.4,-16.37,;21.06,-17.14,;23.73,-17.14,;22.4,-11.75,;22.4,-10.21,;23.73,-12.52,;25.06,-11.75,;26.39,-12.52,;27.73,-11.75,;29.06,-12.53,;30.39,-11.76,;31.72,-12.52,;31.72,-14.07,;30.39,-14.84,;29.05,-14.06,;27.71,-14.83,;26.38,-14.06,;27.71,-16.37,;33.06,-14.84,;33.06,-16.38,;34.4,-14.07,;9.07,-14.83,;9.06,-16.38,)|
BDBM50425648 NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:38.39,wD:11.10,(46.28,-21.08,;46.25,-22.61,;47.58,-23.4,;44.91,-23.37,;44.89,-24.91,;43.54,-25.65,;42.23,-24.87,;40.88,-25.62,;39.56,-24.83,;38.22,-25.58,;38.2,-27.12,;36.89,-24.79,;35.55,-25.54,;35.54,-27.08,;34.2,-27.85,;34.19,-29.38,;35.52,-30.16,;35.62,-31.71,;36.95,-32.47,;38.28,-31.7,;36.96,-34.01,;35.64,-34.78,;34.31,-34.02,;32.98,-34.79,;31.65,-34.04,;31.65,-32.51,;32.96,-31.72,;34.3,-32.49,;30.32,-31.75,;30.3,-30.22,;28.97,-29.47,;27.65,-30.24,;28.95,-27.93,;30.28,-27.15,;30.26,-25.61,;31.59,-24.83,;32.93,-25.59,;34.25,-24.82,;34.24,-23.28,;32.9,-22.51,;31.57,-23.3,;30.79,-24.63,;32.33,-24.63,;30.23,-22.53,;28.9,-23.31,;27.57,-22.54,;26.24,-23.32,;26.23,-24.86,;27.57,-25.63,;28.91,-24.86,;35.57,-22.49,;35.56,-20.95,;36.91,-23.25,;32.95,-27.13,;31.63,-27.92,;36.86,-29.39,;36.86,-27.86,;42.24,-23.33,;43.58,-22.57,)|
BDBM50425649 NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1 |r,wU:36.37,wD:11.10,(23.09,-3.13,;23.07,-4.67,;24.39,-5.45,;21.73,-5.42,;21.7,-6.96,;20.35,-7.7,;19.04,-6.92,;17.69,-7.67,;16.38,-6.89,;15.03,-7.63,;15.01,-9.17,;13.71,-6.85,;12.36,-7.6,;12.35,-9.14,;11.01,-9.9,;11,-11.44,;12.33,-12.22,;12.32,-13.75,;10.99,-14.51,;10.98,-16.04,;9.67,-13.73,;8.33,-14.49,;7.02,-13.72,;5.69,-14.47,;5.67,-16,;6.99,-16.78,;8.33,-16.03,;4.33,-16.75,;5.78,-11.52,;7.12,-12.28,;5.77,-9.99,;7.09,-9.21,;7.08,-7.67,;8.4,-6.89,;9.74,-7.65,;11.07,-6.87,;11.05,-5.33,;9.71,-4.57,;8.38,-5.36,;7.6,-6.68,;9.15,-6.68,;7.04,-4.59,;5.72,-5.37,;4.38,-4.6,;3.05,-5.37,;3.05,-6.92,;4.38,-7.69,;5.72,-6.92,;12.38,-4.54,;12.37,-3,;13.72,-5.31,;9.76,-9.18,;8.44,-9.97,;13.67,-11.45,;13.68,-9.91,;19.05,-5.39,;20.39,-4.63,)|
BDBM50444295 CC(C)(C)C(=O)Oc1cn(c(CSc2nc3cc(ccc3o2)C(O)=O)cc1=O)-c1ccccc1
BDBM50444296 CC(C)(C)C(=O)Oc1coc(CSc2nc3cc(ccc3o2)C(O)=O)cc1=O
BDBM50444297 CC(C)(C)C(=O)Oc1coc(CSc2nc3ccccc3s2)cc1=O
BDBM50063581 NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:5.8,wD:2.1,11.11,(25.62,-40.59,;26.39,-39.26,;27.93,-39.26,;28.7,-40.59,;30.24,-40.59,;31.01,-39.26,;30.24,-37.93,;28.7,-37.93,;32.55,-39.26,;33.32,-40.59,;33.32,-37.93,;34.86,-37.93,;35.63,-39.26,;37.17,-39.26,;37.94,-37.93,;39.48,-37.93,;40.25,-39.26,;39.48,-40.59,;37.94,-40.59,;35.63,-36.59,;35.01,-35.19,;36.14,-34.15,;37.48,-34.93,;38.89,-34.3,;37.16,-36.43,;35.98,-32.62,;37.23,-31.72,;37.07,-30.19,;35.66,-29.56,;35.19,-28.09,;36.09,-26.85,;33.65,-28.09,;33.17,-29.56,;34.42,-30.47,;34.58,-32,)|
BDBM50079381 CC[C@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCCCCN)C1CSCCC1=O
BDBM50063583 Nc1n[nH]c2cc(ccc12)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
BDBM189415 C[C@H]1COC(=O)Nc2cccc(CNC(=O)C(Nc3ccc4c(N)nccc4c3)c3ccc1cc3)c2 |r|
BDBM50063582 COC(=O)Nc1ccc(cc1)-c1c[nH]c(n1)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r|
BDBM50098591 Nc1nccc2cc(N[C@@H]3c4ccc(CCCC(=O)Nc5cccc(CNC3=O)c5)cc4)ccc12 |r|
BDBM200099 CCOc1ccc(C[C@@H](NC(=O)c2cccc(c2)C(F)(F)F)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200192 CCOc1ccc(C[C@@H](NC(=O)c2sccc2N)C(=O)N[C@@H](Cc2cscn2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200197 CCOc1ccc(C[C@@H](NC(=O)c2sccc2NC(C)=O)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200055 COC(=O)CN[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM50098596 CCS(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)[C@@H](Nc3ccc(cc3)C(N)=N)C(=O)NCc1c2 |r|
BDBM50096792 CN1CCN(CC1)C(=O)C[C@H](NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)c1nc(c(Cl)[nH]1)-c1ccc2[nH]c(=O)cc(O)c2c1 |r|
BDBM50136573 CN1CCN(CC1)C(=O)Nc1ccc(C[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)cc1 |r|
BDBM50098597 CC(C)(C)S(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)C(Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2
BDBM50098598 CC(C)S(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2 |r|
BDBM50098599 CCS(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2 |r|
BDBM50136579 Oc1cc(=O)[nH]c2ccc(cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1cc(Cl)ccc1-n1cnnn1 |r|
BDBM50136608 OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r|
BDBM60914 CCOc1ccc(C[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 |TLB:10:12:15:18.19.17,19:18:21:15.14.13,19:14:21:20.18.17,THB:20:12:15:18.19.17,20:18:15:12.21.13|
BDBM50098595 CCS(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)NCc1c2 |r|
BDBM200076 CCOc1ccc(C[C@@H](NC(=O)CC)C(=O)N2CC[C@@H]([C@H]2C(=O)NCc2ccc(CN)cc2)c2ccccc2)cc1
BDBM200077 CCOc1ccc(C[C@@H](NC(=O)NCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200078 CCOc1ccc(C[C@@H](NC(=O)Nc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200079 CCOc1ccc(C[C@@H](NC(=O)c2cccnc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200080 CCOc1ccc(C[C@@H](NC(=O)c2ccncc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200156 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccncc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200157 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)F)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200158 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2cccc(F)c2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200159 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2cccs2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200160 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccsc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200081 CCOc1ccc(C[C@@H](NC(=O)c2ccsc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200082 CCOc1ccc(C[C@@H](NC(=O)c2cccs2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200083 CCOc1ccc(C[C@@H](NC(=O)C2CC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200084 CCOc1ccc(C[C@@H](NC(=O)C2CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200085 CCCCCC(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM200161 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2cscn2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200162 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200163 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(F)c2)cc1
BDBM200164 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(Cl)c2)cc1
BDBM200165 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(c2)C(F)(F)F)cc1
BDBM200086 CCOc1ccc(C[C@@H](NC(=O)NC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200087 CCCCCCNC(=O)N[C@H](Cc1ccc(OCC)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM200088 CCOc1ccc(C[C@@H](NC(=O)c2ccno2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200089 CCOc1ccc(C[C@@H](NC(=O)c2ccc(OC(F)(F)F)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200090 CCOc1ccc(C[C@@H](NC(=O)c2ccccn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200166 CCOc1ccc(C[C@@H](NC(=O)c2ccccn2)C(=O)N[C@@H](Cc2cccs2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200167 CCOc1ccc(C[C@@H](NC(=O)c2ccc(OC)cc2)C(=O)N[C@@H](Cc2ccccn2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200168 CCOc1ccc(C[C@@H](NC(=O)c2ccccn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(Cl)c2)cc1
BDBM200169 CCOc1ccc(C[C@@H](NC(=O)c2ccc(OC)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200170 CCOc1ccc(C[C@@H](NC(=O)c2ccncc2)C(=O)N[C@@H](Cc2ccc(F)c(F)c2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200091 CCOc1ccc(C[C@@H](NC(=O)c2cc(C)nn2C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200092 CCOc1ccc(C[C@@H](NC(=O)c2cc3ccccc3s2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200093 CCOc1ccc(C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200094 CCOc1ccc(cc1)[C@H](C(=O)NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1)c1ccccc1
BDBM200095 CCOc1ccc(C[C@@H](NC(=O)CCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200171 CCOc1ccc(C[C@@H](NC(=O)c2cccs2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200172 CCOc1ccc(C[C@@H](NC(=O)c2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccn2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200173 CCOc1ccc(C[C@@H](NC(=O)c2ccc(C)cc2)C(=O)N[C@@H](Cc2ccccn2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200174 CCOc1ccc(C[C@@H](NC(=O)c2ccccn2)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200175 CCOc1ccc(CC(=O)CN(CCC(N)=O)[C@@H](Cc2ccccn2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200010 CCOc1ccc(CC(=O)CNN([C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)C(=O)CC)cc1
BDBM200096 CCOc1ccc(C[C@@H](NC(=O)CCCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200097 CCOc1ccc(C[C@@H](NC(=O)c2cccc(Cl)c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200098 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2Cl)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200176 CCOc1ccc(C[C@@H](NC(=O)c2ccncc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(F)c2)cc1
BDBM200177 CCOc1ccc(C[C@@H](NC(=O)c2ccccn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(F)c2)cc1
BDBM200178 CCOc1ccc(C[C@@H](NC(=O)c2cccs2)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200179 CCOc1ccc(CC(=O)CN(CCC(N)=O)[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200180 CCOc1ccc(C[C@@H](NC(=O)c2ccncc2)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200012 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200013 NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
BDBM200014 CCOc1ccc(C[C@@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200015 CCOc1ccc(C[C@@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(F)c2)cc1
BDBM200016 CCOc1ccc(CC(=O)CNN([C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(F)c2)C(=O)CC)cc1
BDBM200017 NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CC2CCCCC2)cc1
BDBM200101 CCOc1ccc(C[C@@H](NC(=O)c2ccc(C)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200102 CCOc1ccc(C[C@@H](NC(=O)c2ccc(Cl)c(Cl)c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200103 CCOc1ccc(C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200104 CCOc1ccc(C[C@@H](NC(=O)c2ccc(OC)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200105 CCOc1ccc(C[C@@H](NC(=O)\C=C\c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200181 CCOc1ccc(C[C@@H](NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200182 CCOc1ccc(C[C@@H](NC(=O)c2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200183 CCOc1ccc(C[C@@H](NC(=O)c2ccno2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200184 CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200185 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200018 CN(C)[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM200023 CCOc1ccc(C[C@@H](N)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200106 CCOc1ccc(C[C@@H](N(NC(=O)Cc2ccccc2)C(C)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200107 CCOc1ccc(C[C@@H](NC(=O)CNC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200108 CCOc1ccc(C[C@@H](NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200109 CCOc1ccc(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200110 CCOc1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200186 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200187 CCOc1ccc(C[C@@H](NC(=O)c2ccncc2)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200188 CCOc1ccc(C[C@@H](NC(=O)c2sccc2NC(C)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200189 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2F)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200190 CCOc1ccc(C[C@@H](NC(=O)c2sccc2C)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200024 CCOc1ccc(C[C@@H](NS(=O)(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200025 CCOc1ccc(CC(=O)CNN([C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)NCc2ccc(CN)cc2)C(=O)CC)cc1
BDBM200026 CCOc1ccc(C[C@@H](NCC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200027 NCc1ccc(CNC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](N)Cc2ccc(cc2)C(F)(F)F)cc1
BDBM200028 CC(=O)CN([C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(CN)cc1)[C@H](CC(N)=O)c1ccc(cc1)C(F)(F)F
BDBM200111 CCOc1ccc(C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200112 CCOc1ccc(C[C@@H](NC(=O)N(CC)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200113 CCOc1ccc(C[C@@H](NC(=O)c2ccc(C)nc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200114 CCOc1ccc(C[C@@H](NC(=O)c2cccnc2C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200115 CCOc1ccc(C[C@@H](NC(=O)c2ccc(Cl)nc2Cl)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200191 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(C)c2)cc1
BDBM200193 CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N[C@@H](Cc2cscn2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200194 CCOc1ccc(C[C@@H](NC(=O)c2ccc(C)cc2)C(=O)N[C@@H](Cc2cscn2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200195 CCOc1ccc(C[C@@H](NC(=O)c2[nH]ccc2C)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200029 NCc1ccc(CNC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](N)CC2CCCCC2)cc1
BDBM200030 NCc1ccc(CNC(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)N(CCC(N)=O)CC(=O)CC2CCCCC2)cc1
BDBM200031 C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM200032 CCOc1ccc(CC(=O)CNN([C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(Cl)c2)C(=O)CC)cc1
BDBM200033 CCOc1ccc(CC(=O)CNN([C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccc(CN)cc2)C(=O)CC)cc1
BDBM200034 CCOc1ccc(C[C@@H](N)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200116 CCOc1ccc(C[C@@H](NC(=O)c2cnc(Cl)c(Cl)c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200117 CCOc1ccc(C[C@@H](NC(=O)c2cc(F)nc(F)c2F)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200118 CCOc1ccc(C[C@@H](NC(=O)CC(F)(F)F)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200119 CCOc1ccc(C[C@@H](NC(=O)c2cc(C)nc(Cl)c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200120 CCOc1ccc(C[C@@H](NC(=O)c2sc(C)nc2C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200198 CCOc1ccc(C[C@@H](NC(=O)c2cccc(C)c2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200199 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2C)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200200 CCOc1ccc(C[C@@H](NC(=O)c2[nH]c(C)cc2C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200035 CCOc1ccc(CC(=O)CNCCC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200036 CCOc1ccc(C[C@@H](NC)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200037 CC(C)C[C@@H](NCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM200038 CN(CC(O)=O)[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM200039 CN([C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O
BDBM200040 CCOc1ccc(C[C@@H](N(C)C(=O)CC)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200121 CCOc1ccc(C[C@@H](NC(=O)c2cnc(C)s2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200122 CCOc1ccc(C[C@@H](NC(=O)c2nc(C)oc2C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200123 CCOc1ccc(C[C@@H](NC(=O)c2ccc3nc(C)ccc3c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200124 CCOc1ccc(C[C@@H](NC(=O)c2cnc3cc(Cl)ccc3c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200125 CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200201 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)c(C)c2)cc1
BDBM200202 CCOc1ccc(C[C@@H](NC(=O)c2sccc2NC(C)=O)C(=O)N[C@@H](Cc2ccsc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200203 CCOc1ccc(C[C@@H](NC(=O)c2sccc2N)C(=O)N[C@@H](Cc2csc3ccccc23)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200205 CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200041 CCOc1ccc(CC(=O)CNCCC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)c(F)c2)cc1
BDBM200042 CN[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM200043 CN([C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)c(F)c1)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O
BDBM200044 CCCN[C@H](Cc1ccc(OCC)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM200045 CN(Cc1ccc(CN)cc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC1CCCCC1)NCC(O)=O
BDBM200046 CCCN[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM200126 CCOc1ccc(C[C@@H](NC(=O)c2scnc2C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200127 CCOc1ccc(C[C@@H](NC(=O)c2ccco2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200128 CCOc1ccc(C[C@@H](NC(=O)c2sccc2C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200129 CCOc1ccc(C[C@@H](NC(=O)c2cccc(OC)n2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200130 CCOc1ccc(C[C@@H](NC(=O)c2cncc(OC)c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200206 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H]([C@H](O)c2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200207 CCOc1ccc(C[C@@H](NC(=O)c2sccc2Cl)C(=O)N[C@@H]([C@H](O)c2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200208 CCOc1ccc(C[C@@H](NC(=O)c2ccc(C)cc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200209 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccc(F)c(F)c2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200210 NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccc(OCC(F)(F)F)cc2)NC(=O)c2ccccc2)cc1
BDBM200047 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200048 CCOc1ccc(C[C@@H](NC(C)=O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200049 CN[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)c(F)c1
BDBM200050 CN[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(CN)c(F)c1
BDBM200051 CN(CC(O)=O)[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)c(F)c1
BDBM200052 CN(CC(O)=O)[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(CN)c(F)c1
BDBM200131 CCOc1ccc(C[C@@H](NC(=O)c2sccc2OC)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200132 CCOc1ccc(C[C@@H](NC(=O)c2ccnc(OC)c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200133 CCOc1ccc(C[C@@H](NC(=O)c2[nH]ccc2C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200134 CCOc1ccc(C[C@@H](NC(=O)c2sccc2N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200135 NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC2CCCCC2)NC(=O)c2ccccc2)cc1
BDBM200053 CCOc1ccc(C[C@@H](NC(=O)C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200054 CCCN(C)[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM200057 CN(CC(N)=O)[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM200058 CN(CCO)[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM200136 NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)c2ccccc2)cc1
BDBM200137 NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(OCc3ccc(Cl)cc3)cc2)NC(=O)c2ccccc2)cc1
BDBM200138 NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1
BDBM200139 NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(OCc3ccc(F)cc3)cc2)NC(=O)c2ccccc2)cc1
BDBM200140 CCCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200059 NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC2CCCCC2)NCC(N)=O)cc1
BDBM200060 NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC2CCCCC2)NCCO)cc1
BDBM200061 NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)C(C2CCCCC2)C2CCCCC2)cc1
BDBM200062 CCCN(CCC)[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM200141 NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)c2ccccc2)cc1
BDBM200142 CC(C)C[C@@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM200143 NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)NC(=O)c2ccccc2)cc1
BDBM200144 Cc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200145 NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(OCc3cccc(F)c3)cc2)NC(=O)c2ccccc2)cc1
BDBM200146 COc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cn1
BDBM200147 COc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200148 NCc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1
BDBM200149 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccn2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200150 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200075 CCOc1ccc(C[C@H](N(C)C(=O)CC)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200151 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200152 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200153 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2cccc(c2)C(F)(F)F)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200154 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM200155 CCOc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM50172726 C[C@@H]1COC(=O)Nc2cccc(CNC(=O)C(Nc3ccc4c(N)nccc4c3)c3ccc1cc3)c2 |r|
BDBM50172786 CC1(C)COC(=O)Nc2cccc(CNC(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1cc3)c2 |r|
BDBM50172788 CN1Cc2cccc(NC(=O)OCC(C)(C)c3ccc(cc3)[C@H](Nc3ccc4c(N)nccc4c3)C1=O)c2 |r|
BDBM50172789 CC1(C)COC(=O)Nc2cccc(CNC(=O)[C@@H](Nc3ccc4c(N)nccc4c3)c3ccc1cc3)c2 |r|
BDBM50172727 CC1COC(=O)Nc2cccc(CNC(=O)C(Nc3ccc4c(N)nccc4c3)c3ccc1cc3)c2
BDBM50172728 Nc1nccc2cc(NC3c4ccc(CCOC(=O)Nc5cccc(CNC3=O)c5)cc4)ccc12
BDBM50172757 CN1Cc2cccc(NC(=O)OCC(C)(C)c3ccc(cc3)[C@@H](Nc3ccc4c(N)nccc4c3)C1=O)c2 |r|
BDBM163478 COc1ccccc1C(=O)n1nc(nc1NCc1ccccc1)-c1ncccn1
BDBM162370 Cn1cccc(-c2cc(NCc3ccc(Cl)s3)n(n2)C(=O)c2ccoc2)c1=O
BDBM162371 Clc1ccc(CNc2cc(nn2C(=O)c2ccoc2)-c2cccn(Cc3ccccn3)c2=O)s1
BDBM163297 Clc1ccc(CNc2cc(nn2C(=O)c2ccc(cc2)N2CCOCC2)-c2cccn(Cc3cccnc3)c2=O)s1
BDBM164176 COc1ccccc1C(=O)n1nc(nc1NCc1ccc(Cl)s1)-c1ccc(cc1)N(C)C
BDBM162601 CC(C)(C)C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(Cc2cccnn2)c1=O
BDBM162633 Clc1ccc(CNc2cc(nn2C(=O)c2cccc3OCCOc23)-c2cccn(Cc3ccccn3)c2=O)s1
BDBM163403 Nc1ccccc1C(=O)n1nc(c(F)c1NCc1ccc(Cl)s1)-c1ncccc1F
BDBM163404 Nc1ccccc1C(=O)n1nc(c(F)c1NCc1ccc(Cl)s1)-c1ccco1
BDBM163414 COc1ccccc1C(=O)n1nc(cc1NCc1ccc(Cl)s1)C1CCCCC1O
BDBM163425 Clc1ccc(CNc2cc(nn2C(=O)c2ccoc2)-c2cccnn2)s1
BDBM163427 Fc1c(NCc2ccc(Cl)s2)n(nc1C1CCOCC1)C(=O)c1ccoc1
BDBM163475 COc1ccccc1C(=O)n1nc(nc1SC)-c1cccs1
BDBM187088 CCn1c(cc(C)c1Cc1ccc(Cn2cc(C)cn2)cc1)C(=O)NCc1c(C)cc(CN)cc1C
BDBM187089 CC1C(C=NN1Cc1ccc(Cn2cc(C)cn2)cc1)C(=O)NCc1ccc(cc1)C1(N)CC1 |c:3|
BDBM187090 Cc1cnn(Cc2ccc(Cn3cnc(c3)C(=O)NCc3ccc(CN)cc3)cc2)c1
BDBM187091 Cc1cnn(Cc2ccc(Cn3cnc(c3)C(=O)NCc3ccc(cc3)C3(N)CC3)cc2)c1
BDBM187092 Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3ccc(CN)cc3C)cc2)c1
BDBM187093 Cc1cnn(Cc2ccc(Cn3cnc(c3)C(=O)NCc3ccc(CN)cc3C)cc2)c1
BDBM187094 Cc1cnn(Cc2ccc(Cn3cc(nn3)C(=O)NCc3ccc(CN)cc3)cc2)c1
BDBM187107 CCn1c(cc(C)c1Cc1ccc(Cn2cc(C)cn2)cc1)C(=O)NCc1ccc(CN)cc1
BDBM162652 COc1ccccc1C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccnc1=O
BDBM162367 Clc1ccc(CNc2cc(nn2C(=O)c2ccoc2)-c2ccc[nH]c2=O)s1
BDBM162372 Clc1ccc(CNc2cc(nn2C(=O)c2ccoc2)-c2cccn(Cc3ccco3)c2=O)s1
BDBM187095 Cc1cnn(Cc2ccc(Cn3cc(nn3)C(=O)NCc3ccc(CN)cc3C)cc2)c1
BDBM187096 Cc1cnn(Cc2ccc(Cn3cc(nn3)C(=O)NCc3ccc(cc3)C3(N)CC3)cc2)c1
BDBM187098 Cc1cnn(Cc2ccc(Cn3cnc(c3)C(=O)NCc3c(C)cc(CN)cc3C)cc2)c1
BDBM187099 Cc1cnn(Cc2ccc(Cn3cc(nn3)C(=O)NCc3c(C)cc(CN)cc3C)cc2)c1
BDBM187100 Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4c(C)cc(CN)cc4C)c(C)n3)cc2)c1
BDBM162665 COc1ccccc1C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(CC(=O)N2CCOCC2)c1=O
BDBM187102 Cc1cnn(Cc2ccc(Cn3nc(C)c(C(=O)NCc4c(C)cc(CN)cc4C)c3C)cc2)c1
BDBM187103 Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc(CN)c(F)c4)c(n3)C(F)(F)F)cc2)c1
BDBM187104 Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4c(C)cc(CN)cc4C)c(n3)C(F)(F)F)cc2)c1
BDBM187105 Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc(CN)c(F)c4C)c(n3)C(F)(F)F)cc2)c1
BDBM186843 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cc(cs1)-c1cccnc1
BDBM186842 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(c1)-c1cccnc1
BDBM187097 Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3c(C)cc(CN)cc3C)cc2)c1
BDBM187109 CCn1c(Cc2ccc(Cn3ccccc3=O)cc2)c(C)cc1C(=O)NCc1ccc(CN)cc1
BDBM187110 Cc1nn(Cc2ccc3nc(C)ccc3c2)cc1C(=O)NCc1c(C)cc(CN)cc1C
BDBM187111 Cc1c(cnn1Cc1ccc2nc(C)ccc2c1)C(=O)NCc1c(C)cc(CN)cc1C
BDBM187112 Cc1ccc2cc(Cn3cc(C(=O)NCc4c(C)cc(CN)cc4C)c(n3)C(F)(F)F)ccc2n1
BDBM187113 Cc1ccc2cc(Cn3ncc(C(=O)NCc4c(C)cc(CN)cc4C)c3C(F)(F)F)ccc2n1
BDBM187114 Cc1cc(C(=O)NCc2c(C)cc(CN)cc2C)c(C)n1Cc1ccc2nc(C)ccc2c1
BDBM187115 Cc1cc(CN)cc(C)c1CNC(=O)c1cn(Cc2ccnc(c2)N2CCCC2)nc1C(F)(F)F
BDBM163544 COc1ccc(CNc2nc(nn2C(=O)CCc2ccccc2)-c2ccccn2)cc1
BDBM163554 COc1ccccc1C(=O)n1nc(nc1NCc1nccs1)-c1ccccn1
BDBM163592 Fc1ccc(CNc2nc(nn2C(=O)c2ccccc2)-c2ccccn2)cc1
BDBM163595 COc1ccc(CNc2nc(nn2C(=O)c2ccccc2)-c2ccccn2)cc1
BDBM163596 COc1ccc(CNc2nc(nn2C(=O)c2ccccc2)-c2cccnc2)cc1
BDBM163597 O=C(c1ccccc1)n1nc(nc1NCc1ccccc1)-c1ccccn1
BDBM163601 COc1ccccc1C(=O)n1nc(nc1SC)-c1cccnc1
BDBM164185 O=C(c1ccoc1)n1nc(nc1NCc1ccccc1)-c1ccncc1
BDBM186835 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1ccccc1
BDBM186836 Cc1cc(C(=O)NCc2ccc(CN)cc2C)c(C)n1Cc1csc(n1)-c1ccccc1
BDBM186837 Cc1cc(C(=O)NCc2c(C)cc(CN)cc2C)c(C)n1Cc1csc(n1)-c1ccccc1
BDBM186838 Cc1cc(C(=O)NCc2ccc(cc2)C2(N)CC2)c(C)n1Cc1csc(n1)-c1ccccc1
BDBM186844 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(c1)-c1ccccc1
BDBM186845 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cc(no1)-c1ccccc1
BDBM186846 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1nc2ccccc2s1
BDBM186848 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cc(cs1)-c1ccncc1
BDBM186849 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(n1)N1CCOCC1
BDBM186850 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(n1)-c1ccccc1
BDBM186851 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(n1)-c1cccnc1
BDBM186852 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1nc(oc1C)-c1ccccc1
BDBM186854 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccs1
BDBM186855 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1ccc(s1)-c1cccnc1
BDBM186856 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1ccc(s1)-c1ccccc1
BDBM186857 Cc1nc(cs1)-c1ccc(Cn2c(C)cc(C(=O)NCc3ccc(CN)cc3)c2C)s1
BDBM186858 Cc1c(cc(-c2ccccc2)n1Cc1csc(n1)-c1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM186859 Cc1cc(cn1Cc1csc(n1)-c1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM162579 OC(=O)n1cccc(-c2cc(NCc3ccc(Cl)s3)nn2)c1=O
BDBM163346 Clc1ccc(CNc2cc(nn2C(=O)c2ccccc2Cl)-c2cccn(Cc3cccnc3)c2=O)s1
BDBM186860 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1cccs1
BDBM186861 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1cccc(Cl)c1
BDBM186862 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1ccc(Cl)cc1
BDBM186863 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1cccc(F)c1
BDBM186864 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1cccc(C)c1
BDBM186865 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1cccnc1
BDBM186866 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1ccncc1
BDBM162658 COc1ccccc1C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1cccn(Cc2cccnn2)c1=O
BDBM163348 Clc1ccc(CNc2cc(nn2C(=O)c2ccccc2Cl)-c2cccn(Cc3ccncc3)c2=O)s1
BDBM162646 COc1ccc(C(=O)n2nc(cc2NCc2ccc(Cl)s2)-c2cccn(Cc3cccnc3)c2=O)c(OC)c1
BDBM186870 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1ccccn1
BDBM186871 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1ccsc1
BDBM163338 COCCn1cccc(-c2cc(NCc3ccc(Cl)s3)n(n2)C(=O)c2ccccc2Cl)c1=O
BDBM162669 COCCn1cccc(-c2cc(NCc3ccc(Cl)s3)n(n2)C(=O)C2(C)CCOCC2)c1=O
BDBM186873 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1ccco1
BDBM186874 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1cnccn1
BDBM186872 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(Cc2ccccc2)n1
BDBM186875 CCOc1ccc(cc1)-c1nc(Cn2c(C)cc(C(=O)NCc3ccc(CN)cc3)c2C)cs1
BDBM186876 CC(NC(=O)c1cc(C)n(Cc2csc(n2)-c2ccccc2)c1C)c1ccc(CN)nc1
BDBM186877 Cc1cc(C(=O)NCc2ccc(CN)nc2)c(C)n1Cc1csc(n1)-c1ccccc1
BDBM186878 Cc1cc(C(=O)NCc2ccc(CN)nc2)c(C)n1Cc1csc(n1)-c1cccc(F)c1
BDBM163407 COc1ccccc1C(=O)n1nc(cc1NCc1ccc(Cl)s1)-c1ccccn1
BDBM186879 Cc1cc(C(=O)NCc2ccc(CN)c(F)c2)c(C)n1Cc1csc(n1)-c1ccccc1
BDBM186880 Cc1cc(C(=O)NCc2ccc(CN)c(C)c2)c(C)n1Cc1csc(n1)-c1ccccc1
BDBM186881 Cc1cc(C(=O)NCc2ccc(CN)cc2F)c(C)n1Cc1csc(n1)-c1ccccc1
BDBM186882 C[C@H](N)c1ccc(CNC(=O)c2cc(C)n(Cc3csc(n3)-c3ccccc3)c2C)cn1 |r|
BDBM186883 Cc1cc(C(=O)NCc2ccc(CN)cc2Cl)c(C)n1Cc1csc(n1)-c1ccccc1
BDBM186884 Cc1cc(C(=O)NCc2ccc(CN)cc2C(F)(F)F)c(C)n1Cc1csc(n1)-c1ccccc1
BDBM186885 C[C@@H](N)c1ccc(CNC(=O)c2cc(C)n(Cc3csc(n3)-c3ccccc3)c2C)cn1 |r|
BDBM164103 COc1ccccc1C(=O)n1nc(nc1NCc1ccc(Cl)s1)-c1ccccc1
BDBM163508 COc1ccccc1C(=O)n1nc(nc1NCc1ccc(Cl)s1)-c1ccccn1
BDBM186886 Cc1cc(C(=O)NC2(CC2)c2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1ccccc1
BDBM186887 COc1cc(CNC(=O)c2cc(C)n(Cc3csc(n3)-c3ccccc3)c2C)ccc1CN
BDBM186888 COc1cc(CN)ccc1CNC(=O)c1cc(C)n(Cc2csc(n2)-c2ccccc2)c1C
BDBM186890 Cc1cc(cn1Cc1ccccc1)C(=O)NCc1ccc(CN)cc1Cl
BDBM186891 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(-c2ccccc2)n1Cc1ccccc1
BDBM186892 CCOc1cccc(Cn2c(C)cc(C(=O)NCc3ccc(CN)cc3)c2C)c1
BDBM186868 COc1ccc(cc1)-c1nc(Cn2c(C)cc(C(=O)NCc3ccc(CN)cc3)c2C)cs1
BDBM186869 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1csc(n1)-c1ccc(C)cc1
BDBM186867 COc1cccc(c1)-c1nc(Cn2c(C)cc(C(=O)NCc3ccc(CN)cc3)c2C)cs1
BDBM186893 CCOc1ccc(Cn2c(C)cc(C(=O)NCc3ccc(CN)cc3)c2C)cc1
BDBM186894 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1ccc(OCc2ccccc2)cc1
BDBM186895 COc1ccc(Cn2c(C)cc(C(=O)NCc3ccc(CN)cc3)c2C)cc1
BDBM186896 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(c1)C(N)=O
BDBM186897 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1ccc(cc1)C(N)=O
BDBM186898 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(c1)C#N
BDBM186899 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1ccc(cc1)C#N
BDBM186900 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(CN)c1
BDBM186901 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1ccc(CN)cc1
BDBM186902 CNC(=O)Cc1ccc(Cn2c(C)cc(C(=O)NCc3ccc(CN)cc3)c2C)cc1
BDBM186903 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(c1)-c1ccccc1
BDBM186904 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1ccc(cc1)-c1ccccc1
BDBM186905 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(c1)-c1cccnc1
BDBM186906 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(c1)-c1ccncc1
BDBM186907 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(c1)N1CCOCC1
BDBM186908 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1cccc(c1)N1CCCCC1
BDBM186909 Cc1cc(C(=O)NCc2ccc(CN)cc2)n(C)c1Cc1ccccc1
BDBM186910 Cc1cc(nc1Cc1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM186911 CCCn1c(Cc2ccccc2)c(C)cc1C(=O)NCc1ccc(CN)cc1
BDBM186912 CCn1c(Cc2ccccc2)c(C)cc1C(=O)NCc1ccc(CN)cc1
BDBM186913 CC(C)NC(=O)c1ccc(Cn2cc(cn2)C(=O)NCc2ccc(CN)cc2)cc1
BDBM186914 Cc1c(cnn1Cc1csc(n1)-c1ccccc1)C(=O)NCc1ccc(CN)cc1
BDBM186915 Cc1nn(Cc2csc(n2)-c2ccccc2)cc1C(=O)NCc1ccc(CN)cc1
BDBM186916 NCc1ccc(CNC(=O)c2cnn(Cc3csc(n3)-c3ccccc3)c2C(F)(F)F)cc1
BDBM186917 NCc1ccc(CNC(=O)c2cn(Cc3csc(n3)-c3ccccc3)nc2C(F)(F)F)cc1
BDBM186918 NCc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1
BDBM186919 Cc1cnn(Cc2ccc(Cn3cc(cn3)C(=O)NCc3ccc(CN)cc3)cc2)c1
BDBM186920 Cc1cc(C)n(Cc2ccc(Cn3cc(cn3)C(=O)NCc3ccc(CN)cc3)cc2)n1
BDBM186921 NCc1ccc(CNC(=O)c2cnn(Cc3ccc(cc3)C(=O)N3CCCCC3)c2)cc1
BDBM186946 NCc1ccc(CNC(=O)c2ncn(Cc3ccc(Oc4ccccc4)cc3)n2)cc1
BDBM163421 Clc1ccc(CNc2cc(nn2C(=O)c2ccoc2)-c2ccccn2)s1
BDBM186947 NC1(CC1)c1ccc(CNC(=O)c2cnn(Cc3ccc(Cn4ccccc4=O)cc3)c2)cc1
BDBM186948 Cc1cc(C(=O)NCc2ccc(CN)cc2)c(C)n1Cc1ccc(Cn2ccccc2=O)cc1
BDBM186949 Cc1cc(C(=O)NCc2ccc(CN)cc2C)c(C)n1Cc1ccc(Cn2ccccc2=O)cc1
BDBM186950 CCn1c(Cc2ccc(Cn3ccccc3=O)cc2)c(C)cc1C(=O)NCc1ccc(CN)cc1C
BDBM186951 CCn1c(Cc2ccc(Cn3ccccc3=O)cc2)c(C)cc1C(=O)NCc1ccc(cc1)C1(N)CC1
BDBM186952 Cc1cc(C(=O)NCc2c(C)cc(CN)cc2C)c(C)n1Cc1ccc(Cn2ccccc2=O)cc1
BDBM186954 CCc1c(Cc2ccc(Cn3ccccc3=O)cc2)c(C)cc1C(=O)NCc1c(C)cc(CN)cc1C
BDBM186955 Cc1cnn(Cc2ccc(Cn3c(C)cc(C(=O)NCc4ccc(CN)cc4)c3C)cc2)c1
BDBM186956 Cc1cnn(Cc2ccc(Cn3c(C)cc(C(=O)NCc4ccc(CN)cc4C)c3C)cc2)c1
BDBM186958 Cc1cnn(Cc2ccc(Cn3c(C)cc(C(=O)NCc4ccc(cc4)C4(N)CC4)c3C)cc2)c1
BDBM186959 CCc1c(cc(C)n1Cc1ccc(Cn2cc(C)cn2)cc1)C(=O)NCc1ccc(CN)cc1C
BDBM187086 CCc1c(cc(C)n1Cc1ccc(Cn2cc(C)cn2)cc1)C(=O)NCc1ccc(cc1)C1(N)CC1
BDBM187087 Cc1cnn(Cc2ccc(Cn3c(C)cc(C(=O)NCc4c(C)cc(CN)cc4C)c3C)cc2)c1
BDBM50013001 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCN)C=O |r|
BDBM50013006 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C=O |r|
BDBM50013002 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN)C=O |r|
BDBM50013003 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C=O |r|