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BDBM233068 mtFabH inhibitor, 22

SMILES: CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(C=O)cc2)SC1=O

InChI Key: InChIKey=HUZQWFWSZXRSIW-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 233068   
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)
BDBM233068
PNG
(mtFabH inhibitor, 22)
Show SMILES CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(C=O)cc2)SC1=O
Show InChI InChI=1/C20H18O3S/c1-13-18(22)20(2,24-19(13)23)11-14-3-7-16(8-4-14)17-9-5-15(12-21)6-10-17/h3-10,12,22H,11H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



China Pharmaceutical University



Assay Description
The biological activities of the compounds were evaluated in the same laboratory. Biological activities measured as IC50 were converted to pIC50 (...


J Enzyme Inhib Med Chem 25: 240-9 (2010)


Article DOI: 10.3109/14756360903049059
BindingDB Entry DOI: 10.7270/Q22R3QJT
More data for this
Ligand-Target Pair