BDBM50129469 CHEMBL304060::N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-phenyl]-2-methylsulfanyl-benzamide

SMILES: CSc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12

InChI Key: InChIKey=GHIXXYCLZLTCLC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50129469   

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)	BDBM50129469 (CHEMBL304060 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES CSc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C27H23N3O2S/c1-33-25-11-5-3-9-23(25)26(31)28-21-14-12-19(13-15-21)27(32)30-18-22-8-6-16-29(22)17-20-7-2-4-10-24(20)30/h2-16H,17-18H2,1H3,(H,28,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]-AVP binding to Dawley rat hepatic vasopressin V1a receptor.				Bioorg Med Chem Lett 13: 2195-8 (2003) BindingDB Entry DOI: 10.7270/Q2SF2VJH
					More data for this Ligand-Target Pair
Vasopressin V2 Receptor (Rattus norvegicus (Rat))	BDBM50129469 (CHEMBL304060 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES CSc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C27H23N3O2S/c1-33-25-11-5-3-9-23(25)26(31)28-21-14-12-19(13-15-21)27(32)30-18-22-8-6-16-29(22)17-20-7-2-4-10-24(20)30/h2-16H,17-18H2,1H3,(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of [3H]-AVP binding to Dawley rat kidney medullary vasopressin V2 receptor.				Bioorg Med Chem Lett 13: 2195-8 (2003) BindingDB Entry DOI: 10.7270/Q2SF2VJH
					More data for this Ligand-Target Pair