Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1' and Ligand = 'BDBM50409638'   

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 tankyrase-1 (Homo sapiens (Human))	BDBM50409638 (CHEMBL5275231) Show SMILES CC(=O)NC1(CCN(CC1)C1CN(CCC2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1)c1ccccc1 Show InChI InChI=1S/C33H42Cl2N4O2/c1-24(40)36-33(26-5-3-2-4-6-26)14-17-38(18-15-33)28-21-37(22-28)16-13-32(27-9-10-29(34)30(35)19-27)12-11-31(41)39(23-32)20-25-7-8-25/h2-6,9-10,19,25,28H,7-8,11-18,20-23H2,1H3,(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea				Citation and Details
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