BDBM50087541 Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-3-chloro-phenyl]-amide::CHEMBL159359

SMILES: Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2cccn2Cc2ccccc12

InChI Key: InChIKey=NBCJMCYBNVOOFP-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50087541   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
AVPR1A (RAT)	BDBM50087541 (Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...) Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C32H24ClN3O2/c33-29-19-24(34-31(37)27-14-6-5-13-26(27)22-9-2-1-3-10-22)16-17-28(29)32(38)36-21-25-12-8-18-35(25)20-23-11-4-7-15-30(23)36/h1-19H,20-21H2,(H,34,37)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro binding affinity for rat V1a receptor				Bioorg Med Chem Lett 10: 695-8 (2000) BindingDB Entry DOI: 10.7270/Q2X34WP8
					More data for this Ligand-Target Pair
Vasopressin V2 Receptor (Rattus norvegicus (Rat))	BDBM50087541 (Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...) Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C32H24ClN3O2/c33-29-19-24(34-31(37)27-14-6-5-13-26(27)22-9-2-1-3-10-22)16-17-28(29)32(38)36-21-25-12-8-18-35(25)20-23-11-4-7-15-30(23)36/h1-19H,20-21H2,(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Binding affinity to rat V2 receptor				Bioorg Med Chem Lett 10: 695-8 (2000) BindingDB Entry DOI: 10.7270/Q2X34WP8
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50087541 (Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...) Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C32H24ClN3O2/c33-29-19-24(34-31(37)27-14-6-5-13-26(27)22-9-2-1-3-10-22)16-17-28(29)32(38)36-21-25-12-8-18-35(25)20-23-11-4-7-15-30(23)36/h1-19H,20-21H2,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro binding affinity to human V2 receptor				Bioorg Med Chem Lett 10: 695-8 (2000) BindingDB Entry DOI: 10.7270/Q2X34WP8
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50087541 (Biphenyl-2-carboxylic acid [4-(5H,11H-benzo[e]pyrr...) Show SMILES Clc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C32H24ClN3O2/c33-29-19-24(34-31(37)27-14-6-5-13-26(27)22-9-2-1-3-10-22)16-17-28(29)32(38)36-21-25-12-8-18-35(25)20-23-11-4-7-15-30(23)36/h1-19H,20-21H2,(H,34,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro binding affinity to human V1a receptor				Bioorg Med Chem Lett 10: 695-8 (2000) BindingDB Entry DOI: 10.7270/Q2X34WP8
					More data for this Ligand-Target Pair