BDBM50341876 CHEMBL1767063::E-3-(1-Oxoisoquinolin-5-yl)propenoic acid

SMILES: OC(=O)\C=C\c1cccc2c1cc[nH]c2=O

InChI Key: InChIKey=NHJNBEMBWRRWAC-SNAWJCMRSA-N

Data: 2 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 2 hits for monomerid = 50341876   

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 2 (PARP2) (Mus musculus (Mouse))	BDBM50341876 (CHEMBL1767063 | E-3-(1-Oxoisoquinolin-5-yl)propeno...) Show SMILES OC(=O)\C=C\c1cccc2c1cc[nH]c2=O Show InChI InChI=1S/C12H9NO3/c14-11(15)5-4-8-2-1-3-10-9(8)6-7-13-12(10)16/h1-7H,(H,13,16)(H,14,15)/b5-4+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of recombinant full length mouse PARP-2 after 10 mins using [3H]NAD+ by solution-phase assay				J Med Chem 54: 2049-59 (2011) Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50341876 (CHEMBL1767063 | E-3-(1-Oxoisoquinolin-5-yl)propeno...) Show SMILES OC(=O)\C=C\c1cccc2c1cc[nH]c2=O Show InChI InChI=1S/C12H9NO3/c14-11(15)5-4-8-2-1-3-10-9(8)6-7-13-12(10)16/h1-7H,(H,13,16)(H,14,15)/b5-4+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of full length human PARP-1 after 10 mins by FlashPlate scintillation proximity assay				J Med Chem 54: 2049-59 (2011) Article DOI: 10.1021/jm1010918 BindingDB Entry DOI: 10.7270/Q24B31NC
					More data for this Ligand-Target Pair