BDBM50055887 CHEMBL3317917

SMILES: O=C(N1CCN(CC1)C(=O)c1ccccn1)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1

InChI Key: InChIKey=KPCQSCPABZJUIQ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50055887   

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))	BDBM50055887 (CHEMBL3317917) Show SMILES O=C(N1CCN(CC1)C(=O)c1ccccn1)c1csc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C24H21N5O3S/c30-22-19-6-2-1-5-18(19)21(26-27-22)14-17-13-16(15-33-17)23(31)28-9-11-29(12-10-28)24(32)20-7-3-4-8-25-20/h1-8,13,15H,9-12,14H2,(H,27,30)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem Lett 24: 3739-43 (2014) Article DOI: 10.1016/j.bmcl.2014.07.001 BindingDB Entry DOI: 10.7270/Q2125VBB
					More data for this Ligand-Target Pair