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SMILES: CC(C)COc1ccc(cc1)[C@H](C)Nc1ncc(F)c(n1)N1[C@H](COC1=O)C(C)C

InChI Key: InChIKey=VNRQSKACLLUOAJ-HNAYVOBHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 146435   
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] cytoplasmic


(Homo sapiens (Human))		BDBM146435
PNG
(US8957068, 564)
Show SMILES CC(C)COc1ccc(cc1)[C@H](C)Nc1ncc(F)c(n1)N1[C@H](COC1=O)C(C)C |r|
Show InChI InChI=1S/C22H29FN4O3/c1-13(2)11-29-17-8-6-16(7-9-17)15(5)25-21-24-10-18(23)20(26-21)27-19(14(3)4)12-30-22(27)28/h6-10,13-15,19H,11-12H2,1-5H3,(H,24,25,26)/t15-,19+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 50.1n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph...

US Patent US8957068 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W28
More data for this
Ligand-Target Pair