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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]' and Ligand = 'BDBM410015'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]


(Homo sapiens (Human))
BDBM410015
PNG
(1-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]-2-{[...)
Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)C(O)=O |r|
Show InChI InChI=1S/C25H28F3N3O3/c1-14(2)19-10-4-15(3)12-22(19)31-21-11-5-16(23(32)33)13-20(21)30-24(31)29-17-6-8-18(9-7-17)34-25(26,27)28/h5-9,11,13-15,19,22H,4,10,12H2,1-3H3,(H,29,30)(H,32,33)/t15-,19+,22-/m1/s1
PDB

UniProtKB/SwissProt

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



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...


US Patent US10370339 (2019)


BindingDB Entry DOI: 10.7270/Q2M32Z3X
More data for this
Ligand-Target Pair