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BDBM458493 4-((benzyloxy)amino)-6-(6-(trifluoromethyl)pyridin-2-yl)-N-(2-(trifluoromethyl)pyridin-4-yl)-1,3,5-triazin-2-amine::US10745383, Example 8

SMILES: FC(F)(F)c1cccc(n1)-c1nc(NOCc2ccccc2)nc(Nc2ccnc(c2)C(F)(F)F)n1

InChI Key: InChIKey=DZDDIUOGNNJMLO-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 458493   
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], mitochondrial [40-452,R172K]


(Homo sapiens (Human))
BDBM458493
PNG
(4-((benzyloxy)amino)-6-(6-(trifluoromethyl)pyridin...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(NOCc2ccccc2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C22H15F6N7O/c23-21(24,25)16-8-4-7-15(31-16)18-32-19(30-14-9-10-29-17(11-14)22(26,27)28)34-20(33-18)35-36-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,29,30,32,33,34,35)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 239n/an/an/an/an/an/a



Chia Tai Tianqing Pharmaceutical Group Co., Ltd.; Lianyungang Runzhong Pharmaceutical Co., Ltd.; Centaurus Biopharma Co., Ltd.

US Patent


Assay Description
The inhibitory activity of a compound against IDH2 (R172K, 40-end) was determined by the decrease of a helper factor NADPH. The test compound was pre...


US Patent US10745383 (2020)

More data for this
Ligand-Target Pair