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BDBM50112050 CHEMBL3605402

SMILES: O=C1NC(=S)S\C1=C\c1ccc(=O)[nH]c1

InChI Key: InChIKey=OIDWONIRTGINFI-ZZXKWVIFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50112050   
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))
BDBM50112050
PNG
(CHEMBL3605402)
Show SMILES O=C1NC(=S)S\C1=C\c1ccc(=O)[nH]c1
Show InChI InChI=1S/C9H6N2O2S2/c12-7-2-1-5(4-10-7)3-6-8(13)11-9(14)15-6/h1-4H,(H,10,12)(H,11,13,14)/b6-3+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.10E+3n/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