BDBM50145133 CHEMBL3763188

SMILES: Cn1ccnc1C1C(Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccccc1

InChI Key: InChIKey=JMRVJHACGJMVJK-UHFFFAOYSA-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 = 50145133   

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))	BDBM50145133 (CHEMBL3763188) Show SMILES Cn1ccnc1C1C(Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccccc1 Show InChI InChI=1S/C20H16FN5O/c1-26-8-7-22-19(26)16-17(11-5-3-2-4-6-11)23-14-10-12(21)9-13-15(14)18(16)24-25-20(13)27/h2-10,16-17,23H,1H3,(H,25,27)	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	18	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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145133 (CHEMBL3763188) Show SMILES Cn1ccnc1C1C(Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccccc1 Show InChI InChI=1S/C20H16FN5O/c1-26-8-7-22-19(26)16-17(11-5-3-2-4-6-11)23-14-10-12(21)9-13-15(14)18(16)24-25-20(13)27/h2-10,16-17,23H,1H3,(H,25,27)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	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