SMILES for Vasopressin V1a/V1b receptor

214 SMILES Strings for Vasopressin V1a/V1b receptor

Compound Name

SMILES String

BDBM50212860

CC(=O)NC(O)CCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12

BDBM50212859

CC(=O)NC(O)CCOc1ccc(cc1)C(=O)N1CCC(CC1)n1c2ccccc2ccc1=O

BDBM50029644

CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2ccccc12

BDBM50043184

CC(=O)NCC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:25|

BDBM50043099

CC(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:24|

BDBM50043142

CC(=O)N[C@@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C

BDBM50043070

CC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C

BDBM50043176

CC(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C)c1cn(C)cn1

BDBM50043074

CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C)c1cnc[nH]1

BDBM50043177

CC(C)C[C@@H](N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C

BDBM50043092

CC(C)C[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:29|

BDBM50043105

CC(C)Cc1[nH]c(=O)n([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1O |THB:8:9:33:13.12|

BDBM50043058

CC(C)[C@@H](N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C

BDBM50043180

CC(C)[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:28|

BDBM50043204

CC(C)[C@H](NC(=O)Cc1cnc[nH]1)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:37|

BDBM50016310

CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O

BDBM50016315

CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O

BDBM50016313

CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O

BDBM50043113

CC([C@@H](N)C(=O)[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C)C(N)=O

BDBM50001337

CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C(Br)C(Br)c1ccccc31)C(=O)C2

BDBM50043135

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C(=O)C2 |c:19|

BDBM50043084

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C(C2)N=O |c:19|

BDBM50043179

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C1(CNC(=O)O1)C2 |c:19|

BDBM50043188

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@H](O)C2 |c:19|

BDBM50043128

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CC#N)C2 |c:19|

BDBM50043199

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CC(O)=O)C2 |c:19|

BDBM50043108

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)CC1CN3CCC1CC3)C2 |wU:6.7,25.29,wD:25.30,3.3,c:19,(9.62,-13.01,;8.82,-11.69,;9.57,-10.34,;10.58,-12.45,;9.78,-11.14,;8.25,-11.15,;7.51,-12.49,;6.18,-11.72,;6.18,-10.17,;4.64,-10.17,;7.72,-10.17,;6.2,-8.63,;7.54,-7.86,;7.54,-6.31,;6.22,-5.55,;4.87,-6.31,;4.86,-7.84,;7.12,-4.29,;6.2,-3.05,;4.73,-3.54,;3.4,-2.77,;2.07,-3.54,;2.07,-5.08,;3.4,-5.85,;4.75,-5.08,;8.29,-13.8,;9.06,-15.14,;6.95,-14.58,;5.62,-13.78,;4.28,-14.55,;4.26,-16.1,;5.59,-16.87,;2.92,-16.84,;2.91,-18.39,;1.57,-19.14,;1.57,-20.67,;2.88,-21.45,;4.22,-20.7,;4.24,-19.15,;3.44,-19.86,;2.09,-19.86,;9.82,-13.78,)|

BDBM50043071

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)Cc1ccncc1)C2 |c:19|

BDBM50043116

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)Cc1cnc[nH]1)C2 |c:19|

BDBM50043052

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)Cc1nnn[nH]1)C2 |c:19|

BDBM50043061

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1ccc(=O)[nH]c1)C2 |c:19|

BDBM50043201

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1ccccc1)C2 |c:19|

BDBM50043122

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1ccccn1)C2 |c:19|

BDBM50043169

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1cccnc1)C2 |c:19|

BDBM50043125

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1ccncc1)C2 |c:19|

BDBM50043089

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CN)C2 |c:19|

BDBM50043078

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CN1C(=O)CCC1=O)C2 |c:19|

BDBM50043143

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1cnc[nH]1)C2 |c:19|

BDBM50043151

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)C(N)CCS(C)(=O)=O)C2 |c:19|

BDBM50043145

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)C1CCCNC1)C2 |c:19|

BDBM50043136

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)C1CN3CCC1CC3)C2 |wU:6.7,25.29,wD:25.30,3.3,c:19,(10.02,-8.03,;9.24,-6.7,;9.97,-5.35,;10.97,-7.47,;10.2,-6.16,;8.66,-6.17,;7.92,-7.5,;6.59,-6.73,;6.6,-5.19,;8.14,-5.19,;5.06,-5.19,;6.61,-3.65,;7.94,-2.89,;7.96,-1.34,;6.63,-.58,;5.3,-1.34,;5.28,-2.87,;7.54,.67,;6.61,1.91,;5.16,1.42,;3.81,2.19,;2.48,1.42,;2.48,-.12,;3.81,-.89,;5.16,-.12,;8.7,-8.83,;7.61,-9.92,;9.46,-10.16,;11,-10.16,;11.77,-11.49,;10.99,-12.82,;13.31,-11.5,;14.05,-12.84,;15.59,-12.84,;14.26,-12.07,;15.34,-10.97,;14.01,-10.2,;15.62,-10.18,;16.38,-11.53,;10.23,-8.8,)|

BDBM50043133

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)CC13CC4CC(CC(C4)C1)C3)C2 |c:19,TLB:39:34:41:38.40.37,39:38:41:34.33.35,THB:37:36:33:38.40.39,37:38:33:36.41.35|

BDBM50043178

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)Cc1ccccn1)C2 |c:19|

BDBM50043162

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)Cc1cccnc1)C2 |c:19|

BDBM50043165

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)Cc1ccncc1)C2 |c:19|

BDBM50043059

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)Cc1cnc[nH]1)C2 |c:19|

BDBM50043203

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)NC1CCCCC1)C2 |c:19|

BDBM50043090

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)[C@@H](N)CCC(N)=O)C2 |c:19|

BDBM50043182

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)c1ccccn1)C2 |c:19|

BDBM50043137

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)c1cccnc1)C2 |c:19|

BDBM50043085

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)c1ccncc1)C2 |c:19|

BDBM50043081

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CNC(=O)c1nnc(N)[nH]1)C2 |c:19|

BDBM50043173

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(Cn1c(O)c[nH]c1=O)C2 |c:19|

BDBM50043127

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@H](O)C2 |c:19|

BDBM50043144

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@](O)(CN)C2 |c:19|

BDBM50043097

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C(C2)N=O

BDBM50043147

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@@H](C2)NC(=O)Cc1ccccc1

BDBM50043152

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@@H](C2)NC(=O)Cc1cnc[nH]1

BDBM50043111

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@@H](N)C2

BDBM50043149

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@@](O)(CN1CCCC1=O)C2

BDBM50043073

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)C(=O)[C@H](N)CC(N)=O

BDBM50043123

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(CC(=O)Nc2nnn[nH]2)C1=O

BDBM50043062

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(CC(O)=O)C1=O

BDBM50043095

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CC(CCC(O)=O)C1=O

BDBM50043109

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)CCC1=O

BDBM50043050

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(=O)NC(=O)C1=O |TLB:27:25:1:5.4|

BDBM50043193

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1C(CCC1=O)C(O)=O

BDBM50043185

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1CCC(N)C1=O

BDBM50043117

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)N1CCNC1=O

BDBM50043102

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)NC(=O)CN

BDBM50043186

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1cnc[nH]1

BDBM50043160

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(CCS(C)(=O)=O)c1cnc[nH]1

BDBM50043159

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(N)CCC#N

BDBM50043154

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(N)CCCO

BDBM50043170

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(N)CCS(N)(=O)=O

BDBM50043189

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(N)CC[N+]([O-])=O

BDBM50043087

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C(N)CS(N)(=O)=O

BDBM50043107

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C1CC(CN1)S(C)(=O)=O

BDBM50043072

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C1CCCCC1

BDBM50043191

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C1CN2CCC1CC2 |wU:6.7,wD:25.31,3.3,(14.47,-10.17,;13.74,-11.53,;14.52,-12.84,;15.48,-12.29,;14.7,-10.97,;13.16,-10.99,;12.41,-12.32,;11.08,-11.55,;11.1,-10.01,;9.56,-10.01,;12.64,-10.01,;11.11,-8.47,;12.44,-7.69,;12.45,-6.15,;11.13,-5.38,;12.03,-4.14,;11.11,-2.88,;9.65,-3.37,;8.3,-2.6,;6.97,-3.39,;6.97,-4.93,;8.3,-5.7,;9.66,-4.91,;9.79,-6.15,;9.77,-7.67,;13.2,-13.65,;14.73,-13.62,;12.45,-14.99,;11.32,-16.04,;9.84,-15.59,;11.68,-17.55,;13.14,-18,;13.48,-19.49,;12.34,-20.55,;10.87,-20.08,;10.54,-18.58,;11.47,-18.51,;12.25,-19.73,)|

BDBM50043126

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C1CNC(=O)N1

BDBM50043110

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C=Cc1cnc[nH]1 |w:31.36|

BDBM50043164

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CC(CC(N)=O)NC(=O)Cc1cnc[nH]1

BDBM50043138

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CC1CCCNC1

BDBM50043140

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCC(O)=O

BDBM50043131

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCC1CCCNC1

BDBM50043167

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCCc1ccccc1

BDBM50043168

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCN

BDBM50043175

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCc1ccccc1

BDBM50043091

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCc1cccnc1

BDBM50043068

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCc1cnc[nH]1

BDBM50043056

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CCn1ccnc1

BDBM50043048

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)CN1CC[C@H](N)C1=O

BDBM50043195

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)C[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:34:35:39:33.32.38,THB:34:33:39:35.40.36|

BDBM50043187

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1[nH]cnc1Br

BDBM50043132

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1ccccc1

BDBM50043121

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1ccccn1

BDBM50043101

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1cccnc1

BDBM50043104

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1ccncc1

BDBM50043194

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1cnc[nH]1

BDBM50043057

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1csc(N)n1

BDBM50043205

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1nnn[nH]1

BDBM50043100

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cn1ccnc1

BDBM50043069

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cn1cnnn1

BDBM50043161

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)N(CCC(O)=O)CCc1cnc[nH]1

BDBM50043181

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)N(CCc1cnc[nH]1)CCS(C)(=O)=O

BDBM50043083

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)NC1CN2CCC1CC2 |wU:6.7,wD:25.31,3.3,(14.52,-12.84,;13.74,-11.53,;14.47,-10.17,;15.48,-12.29,;14.7,-10.97,;13.17,-10.99,;12.42,-12.32,;11.09,-11.55,;11.1,-10.01,;12.64,-10.01,;9.56,-10.01,;11.11,-8.47,;12.44,-7.7,;12.46,-6.15,;11.13,-5.38,;12.04,-4.14,;11.11,-2.88,;9.65,-3.37,;8.3,-2.6,;6.97,-3.39,;6.97,-4.93,;8.3,-5.7,;9.66,-4.92,;9.79,-6.15,;9.78,-7.67,;13.2,-13.65,;14.73,-13.63,;12.46,-14.99,;11.32,-16.04,;9.85,-15.6,;11.69,-17.55,;10.55,-18.61,;10.91,-20.1,;9.78,-21.15,;8.3,-20.71,;7.95,-19.2,;9.08,-18.14,;9.61,-18.92,;8.97,-20.2,)|

BDBM50043112

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)NCCc1cnc[nH]1

BDBM50043115

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CCC(N)=O

BDBM50043171

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@@H](N)CCC(N)=O

BDBM50407012

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@@H](N)CCS(C)(=O)=O

BDBM50043060

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](CCC(N)=O)NC(=O)CCN

BDBM50043156

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1cnc[nH]1

BDBM50043146

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](N)CCC(N)=O

BDBM50407011

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](N)CCS(C)(=O)=O

BDBM50043064

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)[C@H](N)Cc1cnc[nH]1

BDBM50043051

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)c1ccccc1

BDBM50043158

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)c1cccnc1

BDBM50043200

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)c1cccs1

BDBM50043139

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)c1ccncc1

BDBM50043196

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(N)=O

BDBM50043134

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CC(=O)Nc2nnn[nH]2)[nH]c1=O |TLB:27:25:1:5.4|

BDBM50043049

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CC(O)=O)[nH]c1=O |TLB:27:25:1:5.4|

BDBM50043114

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CCC(N)=O)[nH]c1=O |TLB:27:25:1:5.4|

BDBM50043080

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CCS(C)(=O)=O)[nH]c1=O |TLB:27:25:1:5.4|

BDBM50043077

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CCS(N)(=O)=O)[nH]c1=O |TLB:27:25:1:5.4|

BDBM50043197

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CN)[nH]c1=O |TLB:27:25:1:5.4|

BDBM50043141

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(CNc2nnc(N)[nH]2)[nH]c1=O |TLB:27:25:1:5.4|

BDBM50043088

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(Cc2cccnc2)[nH]c1=O |TLB:27:25:1:5.4|

BDBM50043118

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c(Cc2cnc[nH]2)[nH]c1=O |TLB:27:25:1:5.4|

BDBM50043103

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c2CC(O)Cn2c1=O |TLB:27:25:1:5.4|

BDBM50043079

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c2CCC(=N)n2c1=O |TLB:27:25:1:5.4|

BDBM50043076

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)c[nH]c1=O

BDBM50043174

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CC#N)c1=O |TLB:27:25:1:5.4|

BDBM50043086

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CC(=O)Nc2ncc[nH]2)c1=O |TLB:27:25:1:5.4|

BDBM50043055

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CC(O)=O)c1=O |TLB:27:25:1:5.4|

BDBM50043148

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(CCCn2ccnc2)c1=O |TLB:27:25:1:5.4|

BDBM50043093

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(Cc2cnc[nH]2)c1=O |TLB:27:25:1:5.4|

BDBM50043172

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)n1c(O)cn(Cc2nnn[nH]2)c1=O |TLB:27:25:1:5.4|

BDBM50043153

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](N)C2

BDBM50407010

CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@](O)(CNC(=O)C(N)CS(C)(=O)=O)C2

BDBM50043094

CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@@H](C2)NC(=O)Cc1cnc[nH]1

BDBM50043082

CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)[C@H](C2)NC(=O)Cc1cnc[nH]1

BDBM50043067

CC1CCC(=O)N1[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C

BDBM50043129

CCC(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C)c1cnc[nH]1

BDBM50043150

CCC(C)(C)C(=O)NCC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:29|

BDBM50043096

CCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C

BDBM50043063

CCN(CC)C(CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C

BDBM50137953

CCN(CC)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12

BDBM50043124

CCOC(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C

BDBM50013636

CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[N@]2CCN(CC2)C(=O)[C@H]2CCCCN2C1=O |wU:22.28,41.45,2.2,wD:49.59,8.8,29.32,4.3,(9.24,2.73,;8.98,1.22,;10.17,.22,;11.61,.75,;9.89,-1.3,;8.35,-1.3,;6.91,-1.82,;6.13,-.49,;5.72,-2.82,;4.54,-1.82,;4.82,-.3,;6.21,.36,;5.98,1.9,;4.47,2.16,;3.65,3.47,;2.12,3.42,;1.39,2.05,;2.21,.75,;3.74,.81,;4.97,-4.15,;4.69,-5.67,;3.15,-5.67,;4.97,-7.19,;3.45,-7.5,;3.28,-9.04,;4.69,-9.65,;5.72,-8.52,;6.91,-9.5,;6.13,-10.83,;8.35,-10.04,;8.09,-11.54,;6.63,-12.07,;5.47,-11.07,;4.02,-11.61,;3.74,-13.13,;4.93,-14.11,;6.37,-13.59,;9.89,-10.04,;10.17,-11.54,;11.42,-10.22,;11.74,-11.59,;12.31,-9.04,;11.72,-7.61,;12.66,-6.37,;14.18,-6.56,;14.77,-7.98,;13.85,-9.22,;13.55,-5.67,;15.09,-5.67,;13.29,-4.15,;14.83,-4.15,;15.61,-2.82,;14.83,-1.49,;13.29,-1.49,;12.52,-2.82,;11.33,-1.82,;12.11,-.49,)|

BDBM50013633

CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCNCN2C1=O

BDBM50001309

CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O |c:44,53|

BDBM50001302

CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O

BDBM50075820

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O

BDBM50013634

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCCN2C1=O

BDBM50013628

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCNCN2C1=O

BDBM50075818

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O

BDBM50075816

CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)oc2cc(OC)ccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(O)=O

BDBM50013638

CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O

BDBM50013630

CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCNCN2C1=O

BDBM50013632

CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O

BDBM50403723

CC[C@H](C)[C@H]1NC(=O)[C@@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O

BDBM50403724

CC[C@H](C)[C@H]1NC(=O)[C@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(C)CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O

BDBM50043098

CN(C)C(CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C

BDBM50137940

CN(C)C1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12

BDBM50137946

CN(C)C1CCN(CC1)C(=O)COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12

BDBM50043075

CN(C)CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C

BDBM50137951

CN(C)CCN(C)CCCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12

BDBM50137954

CN(C)CCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc12

BDBM50043119

CN(C)[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C

BDBM50016309

CN(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1

BDBM50016311

CN(CC(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1

BDBM50016312

CN(CC(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1

BDBM50137944

CN1CCCN(CC(=O)N2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc23)CC1

BDBM50137949

CN1CCCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12

BDBM50137948

CN1CCCN(CCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1

BDBM50137956

CN1CCN(CC1)C(=O)CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12

BDBM50137945

CN1CCN(CCCCOc2cc(ccc2NC(=O)c2ccccc2-c2ccccc2)C(=O)N2CCCCc3sccc23)CC1

BDBM50137943

CN1CCN(CCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc23)CC1

BDBM50043202

CNC1CCN([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)C1=O

BDBM50043192

COC(=O)CCN([C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C)C(=O)Cc1cn(C)cn1

BDBM50043190

COC(=O)CNC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C

BDBM50043106

COC(=O)[N+]12CCC(CC1)C(C2)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |wU:22.25,16.18,wD:16.17,19.21,c:37,(14.38,-20.7,;15.88,-20.3,;16.28,-18.82,;17.78,-18.43,;15.2,-17.72,;13.85,-16.95,;14.95,-15.85,;13.61,-15.08,;15.22,-15.06,;15.98,-16.4,;12.91,-16.37,;13.66,-17.71,;11.36,-16.37,;10.58,-17.7,;10.6,-15.02,;9.06,-15.02,;8.29,-13.69,;7.19,-14.79,;9.82,-13.66,;10.58,-12.33,;9.78,-11.02,;8.25,-11.04,;7.51,-12.37,;6.18,-11.6,;6.18,-10.05,;4.64,-10.05,;7.72,-10.05,;6.2,-8.51,;4.86,-7.72,;4.87,-6.2,;6.22,-5.43,;7.54,-6.2,;7.54,-7.75,;7.12,-4.17,;6.2,-2.93,;4.73,-3.42,;3.4,-2.65,;2.07,-3.42,;2.07,-4.96,;3.4,-5.74,;4.75,-4.96,;8.82,-11.57,;9.57,-10.22,;9.62,-12.89,)|

BDBM50137955

COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCC(N(C)C)c2sccc12

BDBM50180054

COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1

BDBM50043066

CS(=O)CCC(N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C

BDBM50016318

C[C@@H](N(C)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O

BDBM50016314

C[C@@H](N(C)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O

BDBM50016316

C[C@@H](N(C)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O

BDBM50043065

Cc1[nH]c(=O)n([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1O |THB:5:6:30:10.9|

BDBM50043053

Cc1nc[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C

BDBM50043183

Cn1cc(O)n([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1=O |THB:5:6:30:10.9|

BDBM50043120

Cn1cnc(CC(=O)N(CCS(C)(=O)=O)[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1

BDBM50043198

Cn1cnc(CC(=O)NC(CCS(C)(=O)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1

BDBM50043130

Cn1cnc(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1

BDBM50043163

Cn1cnc(CC(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc45)CC2)C3(C)C)c1

BDBM50043155

Cn1cncc1CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C

BDBM50043054

Cn1cncc1CC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc34)CC1)C2(C)C

BDBM50291329

N[C@@H]1CSSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O

BDBM50137942

O=C(CCCOc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12)N1CCC(CC1)N1CCCCC1

BDBM50137941

O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCN2CCCC2)c2sccc12)c1ccccc1-c1ccccc1

BDBM50137947

O=C(Nc1ccc(cc1)C(=O)N1CCCN(Cc2ccccc2)c2sccc12)c1ccccc1-c1ccccc1

BDBM50137950

O=C(Nc1ccc(cc1)C(=O)N1CCCN(Cc2cccnc2)c2sccc12)c1ccccc1-c1ccccc1

BDBM50204026

Oc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12

BDBM50016317

[#6]-[#6](-[#6])-[#6@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7](-[#6])-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O

BDBM35667

[#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O

BDBM50013641

[H][C@@]12CCCN1C(=O)[C@@H](C)N(C)C(=O)[C@]1([H])CCCCN1C(=O)[C@@]1([H])CCCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccccc1)NC2=O)[C@@H](C)CC

BDBM50013640

[H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](CCCN)NC(=O)[C@@]1([H])CCCCN1C(=O)[C@]([H])(NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC2=O)[C@H](C)CC

BDBM50013631

[H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@]1([H])CCCCN1C(=O)[C@@]1([H])CCCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(OCC)cc1)NC2=O)[C@@H](C)CC

BDBM50013637

[H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@]1([H])CCCCN1C(=O)[C@@]1([H])CCCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccccc1)NC2=O)[C@@H](C)CC

BDBM50013639

[H][C@@]12CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@]1([H])CCCCN1C(=O)[C@@]1([H])CCCCN1C(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC2=O

BDBM50013635

[H][C@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@]1([H])CCCCN1C(=O)[C@]1([H])CCCCN1C(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccc3ccccc3c1)NC2=O)[C@@H](C)CC

BDBM50075817

[H][C@]12N(CCc3c1[nH]c1ccccc31)C(=O)CCSSC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@]([H])(NC2=O)[C@@H](C)CC)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O |wU:59.62,42.45,1.0,wD:21.54,25.28,33.36,47.51,(5.28,-12.92,;7.12,-12.63,;8.46,-11.86,;8.46,-10.32,;7.12,-9.55,;5.8,-10.32,;5.8,-11.86,;4.32,-12.34,;3.42,-11.09,;1.89,-10.93,;1.27,-9.52,;2.17,-8.27,;3.7,-8.44,;4.32,-9.85,;9.97,-11.53,;9.88,-10,;11.49,-11.7,;12.91,-12.33,;14.05,-13.35,;14.82,-14.69,;15.14,-16.21,;14.98,-17.73,;14.35,-19.14,;13.33,-20.28,;14.28,-21.17,;11.99,-21.06,;12.54,-22.49,;14.06,-22.73,;14.61,-24.17,;15.1,-21.86,;10.49,-21.38,;8.95,-21.21,;8.55,-22.7,;7.54,-20.58,;6.71,-21.87,;7.4,-23.25,;6.57,-24.54,;5.03,-24.46,;7.26,-25.92,;6.4,-19.54,;5.62,-18.22,;4.19,-18.78,;5.31,-16.72,;4.02,-15.37,;5.46,-15.18,;6.1,-13.77,;4.91,-13.32,;3.77,-16.8,;2.93,-15.51,;3.07,-18.16,;1.52,-18.26,;16.47,-18.12,;17.56,-17.04,;16.87,-19.61,;15.77,-20.71,;18.36,-20.01,;19.45,-18.93,;19.05,-17.44,;20.93,-19.33,;22.01,-18.24,;21.62,-16.75,;22.71,-15.66,;22.31,-14.16,;23.4,-13.07,;23.01,-11.6,;24.08,-10.51,;21.51,-11.2,;23.5,-18.64,;23.9,-20.13,;24.6,-17.54,;26.09,-17.94,;27.17,-16.86,;28.67,-17.25,;26.78,-15.37,)|