Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM375205'   

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
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM375205 (6-{[(6-chloro-2-oxo-1,2- | US10253015, Compound I-...) Show SMILES CC(C)CN(C)c1nc(NCc2cc3cc(Cl)ccc3[nH]c2=O)ccc1C#N Show InChI InChI=1S/C21H22ClN5O/c1-13(2)12-27(3)20-14(10-23)4-7-19(26-20)24-11-16-8-15-9-17(22)5-6-18(15)25-21(16)28/h4-9,13H,11-12H2,1-3H3,(H,24,26)(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine					Assay Description Assays were performed in a 384-well black plate. An aliquot of 250 nL of compound was incubated with 10 μL of 30 nM IDH1-R132H or 10 nM IDH1-R13...				Proc Natl Acad Sci U S A 97: 925-30 (2000) BindingDB Entry DOI: 10.7270/Q23F4S02
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