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BDBM50180140 3,5-dimethyl-4-hydroxy-5-(pent-4-enyl)-5H-thiophen-2-one::CHEMBL199776

SMILES: CC1C(=O)SC(C)(CCCC=C)C1=O

InChI Key: InChIKey=JPUQUYACRCHTNA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50180140   
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
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)


(Mycobacterium tuberculosis)
BDBM50180140
PNG
(3,5-dimethyl-4-hydroxy-5-(pent-4-enyl)-5H-thiophen...)
Show SMILES CC1C(=O)SC(C)(CCCC=C)C1=O
Show InChI InChI=1S/C11H16O2S/c1-4-5-6-7-11(3)9(12)8(2)10(13)14-11/h4,8H,1,5-7H2,2-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



National Institute of Allergy and Infectious Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against KasA from Mycobacterium tuberculosis H37Rv


J Med Chem 49: 159-71 (2006)


Article DOI: 10.1021/jm050825p
BindingDB Entry DOI: 10.7270/Q2NG4RDB
More data for this
Ligand-Target Pair