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SMILES: CNC(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2c1

InChI Key: InChIKey=OSKWGXJRJLTGHW-QAPCUYQASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 303468   
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))		BDBM303468
PNG
(US10138226, Example 2-8-2)
Show SMILES CNC(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@@H](C)CC(C)(C)C3)c2c1 |r|
Show InChI InChI=1S/C25H29F3N4O2/c1-15-11-18(14-24(2,3)13-15)32-21-12-16(22(33)29-4)5-10-20(21)31-23(32)30-17-6-8-19(9-7-17)34-25(26,27)28/h5-10,12,15,18H,11,13-14H2,1-4H3,(H,29,33)(H,30,31)/t15-,18+/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


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

US Patent US10138226 (2018)


BindingDB Entry DOI: 10.7270/Q2N30010
More data for this
Ligand-Target Pair