BDBM50145086 CHEMBL3764640

SMILES: CN(C)Cc1ccc(cc1)C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccccc1

InChI Key: InChIKey=JWHYKKKANGIQHW-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 = 50145086   

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))	BDBM50145086 (CHEMBL3764640) Show SMILES CN(C)Cc1ccc(cc1)C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccccc1 Show InChI InChI=1S/C25H24N4O/c1-29(2)15-16-11-13-17(14-12-16)21-23(18-7-4-3-5-8-18)26-20-10-6-9-19-22(20)24(21)27-28-25(19)30/h3-14,21,23,26H,15H2,1-2H3,(H,28,30)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis				J Med Chem 59: 335-57 (2016) BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair