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BDBM50111792 CHEMBL3605380

SMILES: CCN1C(=S)N\C(=C\c2ccc(=O)[nH]c2)C1=O

InChI Key: InChIKey=XJMPBSZTCFDASI-YBKIVMFTSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111792   
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))
BDBM50111792
PNG
(CHEMBL3605380)
Show SMILES CCN1C(=S)N\C(=C\c2ccc(=O)[nH]c2)C1=O
Show InChI InChI=1S/C20H32N4O8/c21-9-13-16(27)17(28)19(31-13)32-14(10-23-5-2-1-3-6-23)12-8-11(25)18(30-12)24-7-4-15(26)22-20(24)29/h4,7,11-14,16-19,25,27-28H,1-3,5-6,8-10,21H2,(H,22,26,29)/t11-,12+,13-,14+,16-,17-,18-,19+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.60E+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