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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]' and Ligand = 'BDBM486572'   
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], mitochondrial [R140Q]


(Homo sapiens (Human))		BDBM486572
PNG
(US10946023, Compound 383)
Show SMILES C[C@@H](Nc1nc(Nc2ccnc(c2)-c2ccc(cc2)C#N)nc(n1)-c1cccc(n1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C24H16F6N8/c1-13(23(25,26)27)33-21-36-20(17-3-2-4-19(35-17)24(28,29)30)37-22(38-21)34-16-9-10-32-18(11-16)15-7-5-14(12-31)6-8-15/h2-11,13H,1H3,(H2,32,33,34,36,37,38)/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a



Agios Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds are assayed for IDH2 R140Q inhibitory activity through a cofactor depletion assay. Compounds are preincubated with enzyme, then the reactio...

US Patent US10946023 (2021)


BindingDB Entry DOI: 10.7270/Q2S46W3H
More data for this
Ligand-Target Pair