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SMILES: Cc1cc(Cc2cc3ccccc3s2)n(O)c(=O)c1

InChI Key: InChIKey=TYGAJGWIXNLPEB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50029487   
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))		BDBM50029487
PNG
(CHEMBL3343461)
Show SMILES Cc1cc(Cc2cc3ccccc3s2)n(O)c(=O)c1
Show InChI InChI=1S/C15H13NO2S/c1-10-6-12(16(18)15(17)7-10)9-13-8-11-4-2-3-5-14(11)19-13/h2-8,18H,9H2,1H3
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Article
PubMed
 2.25E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption

J Med Chem 57: 8307-18 (2014)


Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR
More data for this
Ligand-Target Pair