BDBM50078663 CHEMBL300946::N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-pyridin-2-yl]-5-fluoro-2-methyl-benzamide

SMILES: Cc1ccc(F)cc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12

InChI Key: InChIKey=XJZRYHGTQLKUDO-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 = 50078663   

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
Vasopressin V2 Receptor (Rattus norvegicus (Rat))	BDBM50078663 (CHEMBL300946 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C26H21FN4O2/c1-17-8-10-20(27)13-22(17)25(32)29-24-11-9-18(14-28-24)26(33)31-16-21-6-4-12-30(21)15-19-5-2-3-7-23(19)31/h2-14H,15-16H2,1H3,(H,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of (P[3H]-AVP binding to isolated rat kidney medullary V2 receptor				Bioorg Med Chem Lett 9: 1737-40 (1999) BindingDB Entry DOI: 10.7270/Q23B5ZBZ
					More data for this Ligand-Target Pair
AVPR1A (RAT)	BDBM50078663 (CHEMBL300946 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES Cc1ccc(F)cc1C(=O)Nc1ccc(cn1)C(=O)N1Cc2cccn2Cc2ccccc12 Show InChI InChI=1S/C26H21FN4O2/c1-17-8-10-20(27)13-22(17)25(32)29-24-11-9-18(14-28-24)26(33)31-16-21-6-4-12-30(21)15-19-5-2-3-7-23(19)31/h2-14H,15-16H2,1H3,(H,28,29,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of (Phe-3,4,5 [3H]-) AVP from isolated rat hepatic V1a receptor				Bioorg Med Chem Lett 9: 1737-40 (1999) BindingDB Entry DOI: 10.7270/Q23B5ZBZ
					More data for this Ligand-Target Pair