BDBM50078652 CHEMBL301788::N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-pyridin-2-yl]-2-chloro-4-fluoro-benzamide

SMILES: Fc1ccc(C(=O)Nc2ccc(cn2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1

InChI Key: InChIKey=PINVZEORCGWDCB-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 = 50078652   

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)	BDBM50078652 (CHEMBL301788 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES Fc1ccc(C(=O)Nc2ccc(cn2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O2/c26-21-12-18(27)8-9-20(21)24(32)29-23-10-7-16(13-28-23)25(33)31-15-19-5-3-11-30(19)14-17-4-1-2-6-22(17)31/h1-13H,14-15H2,(H,28,29,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	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
Vasopressin V2 Receptor (Rattus norvegicus (Rat))	BDBM50078652 (CHEMBL301788 | N-[5-(5H,11H-Benzo[e]pyrrolo[1,2-a]...) Show SMILES Fc1ccc(C(=O)Nc2ccc(cn2)C(=O)N2Cc3cccn3Cc3ccccc23)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O2/c26-21-12-18(27)8-9-20(21)24(32)29-23-10-7-16(13-28-23)25(33)31-15-19-5-3-11-30(19)14-17-4-1-2-6-22(17)31/h1-13H,14-15H2,(H,28,29,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Displacement of P[3H]-AVP from 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