Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50110841'   

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))	BDBM50110841 (CHEMBL3605999) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccccc4Br)CC3)C(=O)c12 Show InChI InChI=1S/C21H22BrN3O2/c22-18-7-2-1-4-14(18)12-24-10-8-16(9-11-24)25-13-15-5-3-6-17(20(23)26)19(15)21(25)27/h1-7,16H,8-13H2,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...				J Med Chem 58: 6875-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50110841 (CHEMBL3605999) Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccccc4Br)CC3)C(=O)c12 Show InChI InChI=1S/C21H22BrN3O2/c22-18-7-2-1-4-14(18)12-24-10-8-16(9-11-24)25-13-15-5-3-6-17(20(23)26)19(15)21(25)27/h1-7,16H,8-13H2,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay				J Med Chem 58: 6875-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair