BDBM50120714 4-(6-Oxo-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-2-yl)-benzoic acid::CHEMBL147930

SMILES: OC(=O)c1ccc(cc1)-c1[nH]c2cccc3C(=O)NCCc1c23

InChI Key: InChIKey=YWOBNNJZEWLGBH-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50120714   

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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120714 (4-(6-Oxo-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]in...) Show SMILES OC(=O)c1ccc(cc1)-c1[nH]c2cccc3C(=O)NCCc1c23 Show InChI InChI=1S/C18H14N2O3/c21-17-13-2-1-3-14-15(13)12(8-9-19-17)16(20-14)10-4-6-11(7-5-10)18(22)23/h1-7,20H,8-9H2,(H,19,21)(H,22,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	263	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).				J Med Chem 45: 4961-74 (2002) BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair