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SMILES: Oc1ccc(CN2C(=S)N\C(=C\c3ccc(O)c(O)c3)C2=O)cc1

InChI Key: InChIKey=ZUQZWWPTVBLJHX-YMLUQFLJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111787   
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))		BDBM50111787
PNG
(CHEMBL3605375)
Show SMILES Oc1ccc(CN2C(=S)N\C(=C\c3ccc(O)c(O)c3)C2=O)cc1
Show InChI InChI=1S/C20H32N4O9/c21-7-13-16(27)17(28)19(32-13)33-14(9-22-8-10-2-1-5-30-10)12-6-11(25)18(31-12)24-4-3-15(26)23-20(24)29/h3-4,10-14,16-19,22,25,27-28H,1-2,5-9,21H2,(H,23,26,29)/t10?,11-,12+,13-,14+,16-,17-,18-,19+/m1/s1
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KEGG

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PC cid
PC sid
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Similars
PubMed
 1.34E+4n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...

J Med Chem 58: 6899-908 (2015)


BindingDB Entry DOI: 10.7270/Q2M61N2D
More data for this
Ligand-Target Pair