BDBM50307110 (2S)-N-[3-Chloro-4-(5H-pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)benzyl]-2-[(4-methyl-1,4-diazepan-1-yl)-carbonothioyl]pyrrolidine-1-carboxamide::CHEMBL601929

SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1

InChI Key InChIKey=CQQCQRQIFMWQMH-LJAQVGFWSA-N

Data  3 KI

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50307110   

TargetVasopressin V2 receptor(Homo sapiens (Human))
University of Strasburg

Curated by ChEMBL
LigandPNGBDBM50307110((2S)-N-[3-Chloro-4-(5H-pyrrolo[2,1-c][1,4]benzodia...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C32H37ClN6O2S/c1-35-13-6-15-36(18-17-35)31(42)29-10-5-16-38(29)32(41)34-20-23-11-12-26(27(33)19-23)30(40)39-22-25-8-4-14-37(25)21-24-7-2-3-9-28(24)39/h2-4,7-9,11-12,14,19,29H,5-6,10,13,15-18,20-22H2,1H3,(H,34,41)/t29-/m0/s1
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [3H]AVP from human vasopressin V2 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetOxytocin receptor(Homo sapiens (Human))
University of Strasburg

Curated by ChEMBL
LigandPNGBDBM50307110((2S)-N-[3-Chloro-4-(5H-pyrrolo[2,1-c][1,4]benzodia...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C32H37ClN6O2S/c1-35-13-6-15-36(18-17-35)31(42)29-10-5-16-38(29)32(41)34-20-23-11-12-26(27(33)19-23)30(40)39-22-25-8-4-14-37(25)21-24-7-2-3-9-28(24)39/h2-4,7-9,11-12,14,19,29H,5-6,10,13,15-18,20-22H2,1H3,(H,34,41)/t29-/m0/s1
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [3H]AVP from human oxytocin receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetVasopressin V1a receptor(Homo sapiens (Human))
University of Strasburg

Curated by ChEMBL
LigandPNGBDBM50307110((2S)-N-[3-Chloro-4-(5H-pyrrolo[2,1-c][1,4]benzodia...)
Show SMILES CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1
Show InChI InChI=1S/C32H37ClN6O2S/c1-35-13-6-15-36(18-17-35)31(42)29-10-5-16-38(29)32(41)34-20-23-11-12-26(27(33)19-23)30(40)39-22-25-8-4-14-37(25)21-24-7-2-3-9-28(24)39/h2-4,7-9,11-12,14,19,29H,5-6,10,13,15-18,20-22H2,1H3,(H,34,41)/t29-/m0/s1
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [3H]AVP from human vasopressin V1a receptor expressed in CHO cellsMore data for this Ligand-Target Pair