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BDBM50111798 CHEMBL3605386

SMILES: OC(=O)CN1C(=S)N\C(=C\c2ccc(=O)[nH]c2)C1=O

InChI Key: InChIKey=JQIIEURWWUTAAE-XVNBXDOJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111798   
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))
BDBM50111798
PNG
(CHEMBL3605386)
Show SMILES OC(=O)CN1C(=S)N\C(=C\c2ccc(=O)[nH]c2)C1=O
Show InChI InChI=1S/C11H9N3O4S/c15-8-2-1-6(4-12-8)3-7-10(18)14(5-9(16)17)11(19)13-7/h1-4H,5H2,(H,12,15)(H,13,19)(H,16,17)/b7-3+
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+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)


Article DOI: 10.1021/acs.jmedchem.5b00684
BindingDB Entry DOI: 10.7270/Q2M61N2D
More data for this
Ligand-Target Pair