BDBM50055885 CHEMBL3317902

SMILES: COc1ccc(CC(=O)N2CCN(CC2)C(=O)c2csc(Cc3n[nH]c(=O)c4ccccc34)c2)cc1

InChI Key: InChIKey=WSEVDHVPJRNHPT-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 = 50055885   

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))	BDBM50055885 (CHEMBL3317902) Show SMILES COc1ccc(CC(=O)N2CCN(CC2)C(=O)c2csc(Cc3n[nH]c(=O)c4ccccc34)c2)cc1 Show InChI InChI=1S/C27H26N4O4S/c1-35-20-8-6-18(7-9-20)14-25(32)30-10-12-31(13-11-30)27(34)19-15-21(36-17-19)16-24-22-4-2-3-5-23(22)26(33)29-28-24/h2-9,15,17H,10-14,16H2,1H3,(H,29,33)	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	95	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