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58 SMILES Strings for BDKRB1

Compound NameSMILES String
BDBM29525 Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
BDBM50127438 CCCN1c2ccccc2C(CCc2ccccc2)=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |c:20|
BDBM50156446 O=C(C[C@H]1N(c2ccccc2NC1=O)S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(cc1)C1=NCCN1 |t:41|
BDBM50156455 Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12 |r,t:27|
BDBM50157509 C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nc(C)no1 |r|
BDBM50157511 C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnn(C)n1 |r|
BDBM50157513 COC(=O)c1c(Cl)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r|
BDBM50157514 C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(cc1)-c1cccc(F)c1-c1nnnn1C |r,wU:1.0,(12.95,-46.3,;14.28,-45.52,;14.28,-43.98,;12.94,-43.22,;11.6,-43.99,;10.27,-43.22,;10.27,-41.67,;11.6,-40.9,;11.6,-39.36,;12.94,-41.67,;14.27,-40.89,;15.6,-41.66,;15.61,-43.2,;16.93,-40.88,;18.27,-41.65,;19.6,-42.41,;15.61,-46.29,;15.61,-47.83,;16.94,-48.6,;18.27,-47.82,;18.27,-46.28,;16.93,-45.51,;19.61,-48.59,;19.61,-50.13,;20.94,-50.9,;22.27,-50.12,;22.27,-48.57,;23.59,-47.8,;20.93,-47.81,;20.92,-46.27,;19.66,-45.38,;20.12,-43.91,;21.67,-43.9,;22.15,-45.36,;23.62,-45.82,)|
BDBM50157515 COC(=O)c1c(F)cccc1-c1ccc(cc1)[C@@H](C)Nc1nccc(Cl)c1NC(=O)CC#N |r|
BDBM50202412 COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 |r|
BDBM50203200 O=C(C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12
BDBM50209744 Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F |r|
BDBM50209720 Fc1ccc(cc1)[C@@H](CC(=O)N[C@@H]1CCOc2cc(CN3CCCC3)ccc12)NS(=O)(=O)c1cccc(c1)C(F)(F)F
BDBM50209726 COCCNCc1ccc2[C@@H](CCOc2c1)NC(=O)C[C@@H](NS(=O)(=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1
BDBM50229295 C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
BDBM50264368 CCN(CC(=O)N1CCN(CC1)C1CCN(C)CC1)C(=O)c1nc2ccccc2n1Cc1ccccc1
BDBM50264369 CCCN(CC(=O)N1CCN(CC1)c1ccncc1)C(=O)c1nc2ccccc2n1Cc1ccccc1
BDBM50264370 CCCN(CC(=O)N1CCN(CC1)C1CCN(C)CC1)C(=O)c1nc2ccccc2n1Cc1ccccc1
BDBM50264296 O=C(CNC(=O)c1nc2ccccc2n1Cc1ccccc1)N1CCN(CC1)c1ccncc1
BDBM50264298 CN(Cc1ccc(cc1)C1=NCCN1)C(=O)CNC(=O)c1nc2ccccc2n1Cc1ccccc1 |t:10|
BDBM50264140 CCN(CC(=O)N(C)Cc1ccc(cc1)C1=NCCN1)C(=O)c1nc2ccccc2n1Cc1ccccc1 |t:16|
BDBM50264141 O=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)Nc1ccc(nc1)C1=NCCN1 |t:34|
BDBM50290545 NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
BDBM50326709 CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |r,c:20|
BDBM50381265 COc1cccc2C(CC(=O)NCCc3ccc(cc3)C3=NCCN3)N(c3ccccc3-c12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |t:21|
BDBM50381266 Fc1cc(F)c-2c(c1)C(CC(=O)NCCc1ccc(cc1)C1=NCCN1)N(c1ccccc-21)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |t:23|
BDBM50381267 Fc1ccc-2c(c1)C(CC(=O)NCCc1ccc(cc1)C1=NCCN1)N(c1ccccc-21)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |t:22|
BDBM50381268 COc1ccc(cc1)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 |t:27|
BDBM50381269 Cc1ccc(cc1)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 |t:26|
BDBM50381270 Cc1cc(C)c(cc1C)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 |t:28|
BDBM50381271 Clc1ccc(cc1Cl)S(=O)(=O)N1C(CC(=O)NCCc2ccc(cc2)C2=NCCN2)c2ccccc2-c2ccccc12 |t:27|
BDBM50381273 COc1cccc2C(CC(=O)N[C@H]3CC[C@H](CCN4CCCC4)CC3)N(c3ccccc3-c12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 |r,wU:12.11,wD:15.15,(21.69,-37.95,;21.69,-39.49,;23.03,-40.25,;24.36,-39.47,;25.71,-40.24,;25.71,-41.79,;24.38,-42.56,;24.39,-44.11,;25.72,-44.87,;27.05,-44.1,;27.05,-42.56,;28.39,-44.87,;29.72,-44.09,;29.7,-42.56,;31.04,-41.79,;32.38,-42.56,;33.71,-41.79,;35.05,-42.56,;36.27,-41.63,;37.75,-42.06,;38.62,-40.8,;37.69,-39.57,;36.24,-40.08,;32.38,-44.1,;31.05,-44.86,;23.05,-44.88,;21.71,-44.12,;20.38,-44.89,;19.04,-44.12,;19.04,-42.58,;20.37,-41.81,;21.71,-42.57,;23.04,-41.79,;23.05,-46.42,;24.54,-46.02,;24.14,-47.51,;21.72,-47.2,;21.73,-48.73,;20.41,-49.51,;19.06,-48.74,;17.73,-49.51,;19.06,-47.2,;17.72,-46.43,;20.39,-46.43,)|
BDBM50370213 CCCN1c2ccccc2C(CCc2ccccc2)=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O |r,c:20|
BDBM50370215 CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)C1CCCCC1 |r,c:11|
BDBM50370216 CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O)C1CCCCC1 |r,c:11|
BDBM50370217 CCCN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(cc2)N2CCC(CC2)N2CCCCC2)C1=O)c1ccc(C)cc1 |r,c:11|
BDBM50408801 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1[C@H](C[C@H]2CCCC[C@@H]12)C(O)=O
BDBM50408802 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)NC1(CCCCCC1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
BDBM50408803 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCCCC1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
BDBM50408804 CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(O)=O
BDBM50408805 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCC(=O)NC1(CCCCCC1)C(=O)NCCCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
BDBM50408806 NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1C(C[C@@H]2CCCC[C@H]12)C(O)=O
BDBM50408807 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1[C@@H](C[C@@H]2CCCC[C@H]12)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
BDBM50408808 NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1[C@H](C[C@@H]2CCCC[C@H]12)C(O)=O
BDBM50408809 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCCCCCC1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
BDBM50408810 CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
BDBM50408811 NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
BDBM50408812 CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(C)=O)C(O)=O
BDBM50408813 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
BDBM50408814 NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
BDBM50408815 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)C[C@H]1C(=O)NCC(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)N[C@@H](CO)C(=O)N[C@H](C1Cc2ccccc2C1)C(=O)N1C(C[C@@H]2CCCC[C@H]12)C(=O)N[C@H](CCCNC(N)=N)C(O)=O
BDBM50408816 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCCCCC1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
BDBM50408817 [#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-[#6@H](-[#8])-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cccs1)-[#6](=O)-[#6]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@@H]-1-[#6](=[#6])-[#7]-1-[#6@H]-2-[#6]-[#6]-[#6]-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](-[#8])=O
BDBM50408818 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCC(=O)NC1(CCCCCC1)C(=O)NCCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
BDBM50408819 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
BDBM50408820 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
BDBM50408821 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O
BDBM50408822 N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O