Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1' and Ligand = 'BDBM50409630'   

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))	BDBM50409630 (CHEMBL5280167) Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)C1CN(CCC2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C26H39Cl2N5O3S/c1-29(2)37(35,36)33-13-11-31(12-14-33)22-17-30(18-22)10-9-26(21-5-6-23(27)24(28)15-21)8-7-25(34)32(19-26)16-20-3-4-20/h5-6,15,20,22H,3-4,7-14,16-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.5	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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