BDBM50145147 CHEMBL3765472

SMILES: Cn1ncnc1C1C(Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(cc1)C#N

InChI Key: InChIKey=VHNFDPXVKYPFRU-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 = 50145147   

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))	BDBM50145147 (CHEMBL3765472) Show SMILES Cn1ncnc1C1C(Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(cc1)C#N Show InChI InChI=1S/C20H14FN7O/c1-28-19(23-9-24-28)16-17(11-4-2-10(8-22)3-5-11)25-14-7-12(21)6-13-15(14)18(16)26-27-20(13)29/h2-7,9,16-17,25H,1H3,(H,27,29)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90	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