Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50020650'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50020650 (CHEMBL3290489) Show SMILES NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(OCCN2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H26FN3O4/c29-20-6-8-21(9-7-20)32-14-12-31(13-15-32)16-17-35-22-10-4-19(5-11-22)18-25-26(33)23-2-1-3-24(28(30)34)27(23)36-25/h1-11,18H,12-17H2,(H2,30,34)/b25-18-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	445	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