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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 = 'BDBM303458'   
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))		BDBM303458
PNG
((+-) N-cyclopentyl-2-{[4-(trifluoromethoxy)phenyl]...)
Show SMILES C[C@@H]1C[C@@H](CC(C)(C)C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2ccc(cc12)C(=O)NC1CCCC1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;$|
Show InChI InChI=1S/C29H35F3N4O2/c1-18-14-22(17-28(2,3)16-18)36-25-15-19(26(37)33-20-6-4-5-7-20)8-13-24(25)35-27(36)34-21-9-11-23(12-10-21)38-29(30,31)32/h8-13,15,18,20,22H,4-7,14,16-17H2,1-3H3,(H,33,37)(H,34,35)/t18-,22+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+4n/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