Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50145095'   

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))	BDBM50145095 (CHEMBL3764670) Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cc(F)cc3c2c(n[nH]c3=O)C1c1ccccc1 Show InChI InChI=1S/C25H23FN4O/c1-30(2)14-15-8-10-17(11-9-15)23-21(16-6-4-3-5-7-16)24-22-19(25(31)29-28-24)12-18(26)13-20(22)27-23/h3-13,21,23,27H,14H2,1-2H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	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) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145095 (CHEMBL3764670) Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cc(F)cc3c2c(n[nH]c3=O)C1c1ccccc1 Show InChI InChI=1S/C25H23FN4O/c1-30(2)14-15-8-10-17(11-9-15)23-21(16-6-4-3-5-7-16)24-22-19(25(31)29-28-24)12-18(26)13-20(22)27-23/h3-13,21,23,27H,14H2,1-2H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.5	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) Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair