BDBM50445853 CHEMBL1544030

SMILES: NC(=O)c1ccccc1OCC(=O)N1CCc2ccccc2C1

InChI Key: InChIKey=PLISDQXOMUITEB-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 = 50445853   

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))	BDBM50445853 (CHEMBL1544030) Show SMILES NC(=O)c1ccccc1OCC(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C18H18N2O3/c19-18(22)15-7-3-4-8-16(15)23-12-17(21)20-10-9-13-5-1-2-6-14(13)11-20/h1-8H,9-12H2,(H2,19,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair