BDBM50129465 CHEMBL309096::N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-phenyl]-2-ethoxy-benzamide

SMILES: CCOc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12

InChI Key: InChIKey=OTTCZZGJYAWECY-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 = 50129465   

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)	BDBM50129465 (CHEMBL309096 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES CCOc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C28H25N3O3/c1-2-34-26-12-6-4-10-24(26)27(32)29-22-15-13-20(14-16-22)28(33)31-19-23-9-7-17-30(23)18-21-8-3-5-11-25(21)31/h3-17H,2,18-19H2,1H3,(H,29,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	45	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))	BDBM50129465 (CHEMBL309096 | N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES CCOc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C28H25N3O3/c1-2-34-26-12-6-4-10-24(26)27(32)29-22-15-13-20(14-16-22)28(33)31-19-23-9-7-17-30(23)18-21-8-3-5-11-25(21)31/h3-17H,2,18-19H2,1H3,(H,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	77	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