Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50520036'   

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))	BDBM50520036 (CHEMBL4437593) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1nc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C35H32FN9O3/c36-28-9-8-22(21-30-23-4-1-2-5-26(23)32(46)42-41-30)20-27(28)33(47)43-12-14-44(15-13-43)34-38-31(25-6-3-7-29-24(25)10-11-37-29)39-35(40-34)45-16-18-48-19-17-45/h1-11,20,37H,12-19,21H2,(H,42,46)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.646	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human PARP1 using histone as substrate after 1 hr in presence of biotinylated NAD+ by ELISA				J Med Chem 63: 122-139 (2020) Article DOI: 10.1021/acs.jmedchem.9b00622 BindingDB Entry DOI: 10.7270/Q21G0QPD
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