BDBM50120710 2-(3-Amino-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one::CHEMBL343263

SMILES: Nc1cccc(c1)-c1[nH]c2cccc3C(=O)NCCc1c23

InChI Key: InChIKey=ZPIJDIIBTAAOBV-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 = 50120710   

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))	BDBM50120710 (2-(3-Amino-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,...) Show SMILES Nc1cccc(c1)-c1[nH]c2cccc3C(=O)NCCc1c23 Show InChI InChI=1S/C17H15N3O/c18-11-4-1-3-10(9-11)16-12-7-8-19-17(21)13-5-2-6-14(20-16)15(12)13/h1-6,9,20H,7-8,18H2,(H,19,21)	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc 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) Article DOI: 10.1021/jm020259n BindingDB Entry DOI: 10.7270/Q2T152ZP
					More data for this Ligand-Target Pair