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BDBM50272239 4-amino-4-methyl-pent-2-ynthioic acid S-methyl ester::CHEMBL447800

SMILES: CSC(=O)C#CC(C)(C)N

InChI Key: InChIKey=HGJSZANHBWKRIU-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50272239   
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
Aldehyde dehydrogenase 1A1 (ALDH1A1)


(Homo sapiens (Human))
BDBM50272239
PNG
(4-amino-4-methyl-pent-2-ynthioic acid S-methyl est...)
Show SMILES CSC(=O)C#CC(C)(C)N
Show InChI InChI=1S/C7H11NOS/c1-7(2,8)5-4-6(9)10-3/h8H2,1-3H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
2.80E+5n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of ALDH1 (unknown origin)


Eur J Med Chem 43: 906-16 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.004
BindingDB Entry DOI: 10.7270/Q2D79B60
More data for this
Ligand-Target Pair