BDBM50020621 CHEMBL3290471

SMILES: COc1cc(\C=C2/Oc3c(cccc3C(N)=O)C2=O)ccc1O

InChI Key: InChIKey=WTCUWVVCLKKRIJ-ZSOIEALJSA-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 = 50020621   

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))	BDBM50020621 (CHEMBL3290471) Show SMILES COc1cc(\C=C2/Oc3c(cccc3C(N)=O)C2=O)ccc1O Show InChI InChI=1S/C17H13NO5/c1-22-13-7-9(5-6-12(13)19)8-14-15(20)10-3-2-4-11(17(18)21)16(10)23-14/h2-8,19H,1H3,(H2,18,21)/b14-8-	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometry				J Med Chem 57: 5579-601 (2014) Article DOI: 10.1021/jm5002502 BindingDB Entry DOI: 10.7270/Q28C9XSS
					More data for this Ligand-Target Pair