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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 = 'BDBM303471'   
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))		BDBM303471
PNG
(US10138226, Example 2-11)
Show SMILES C[C@H]1C[C@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)N(C)CC(O)=O |r|
Show InChI InChI=1S/C27H31F3N4O4/c1-16-11-19(14-26(2,3)13-16)34-22-12-17(24(37)33(4)15-23(35)36)5-10-21(22)32-25(34)31-18-6-8-20(9-7-18)38-27(28,29)30/h5-10,12,16,19H,11,13-15H2,1-4H3,(H,31,32)(H,35,36)/t16-,19+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 7.60E+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