BDBM50145152 CHEMBL3763446

SMILES: Cn1ncnc1[C@@H]1[C@H](Nc2cccc3c2c1n[nH]c3=O)c1ccc(F)cc1

InChI Key: InChIKey=VGCYLQAHCSEGLE-HZPDHXFCSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50145152   

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))	BDBM50145152 (CHEMBL3763446) Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cccc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H15FN6O/c1-26-18(21-9-22-26)15-16(10-5-7-11(20)8-6-10)23-13-4-2-3-12-14(13)17(15)24-25-19(12)27/h2-9,15-16,23H,1H3,(H,25,27)/t15-,16-/m1/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145152 (CHEMBL3763446) Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cccc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H15FN6O/c1-26-18(21-9-22-26)15-16(10-5-7-11(20)8-6-10)23-13-4-2-3-12-14(13)17(15)24-25-19(12)27/h2-9,15-16,23H,1H3,(H,25,27)/t15-,16-/m1/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5.10	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay				J Med Chem 59: 335-57 (2016) BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair