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SMILES: CC(C)c1ccc(Nc2nc3cc(ccc3n2[C@H]2C[C@H](C)CC(C)(C)C2)C(O)=O)cc1

InChI Key: InChIKey=GWMNDWCQEWDFPA-UWJYYQICSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 389290   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))		BDBM389290
PNG
(US9951027, 2-76-2)
Show SMILES CC(C)c1ccc(Nc2nc3cc(ccc3n2[C@H]2C[C@H](C)CC(C)(C)C2)C(O)=O)cc1
Show InChI InChI=1S/C26H33N3O2/c1-16(2)18-6-9-20(10-7-18)27-25-28-22-13-19(24(30)31)8-11-23(22)29(25)21-12-17(3)14-26(4,5)15-21/h6-11,13,16-17,21H,12,14-15H2,1-5H3,(H,27,28)(H,30,31)/t17-,21-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...

J Med Chem 52: 514-23 (2009)


BindingDB Entry DOI: 10.7270/Q2S75JN6
More data for this
Ligand-Target Pair