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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '3-oxoacyl-[acyl-carrier-protein] synthase 1' and Ligand = 'BDBM93053'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3-oxoacyl-[acyl-carrier-protein] synthase 1


(Mycobacterium tuberculosis)
BDBM93053
PNG
(TLM analog, 10)
Show SMILES C\C(C=C)=C/[C@@]1(C)SC(=O)C(C(=O)c2ccccc2C(O)=O)C1=O |r|
Show InChI InChI=1S/C18H16O5S/c1-4-10(2)9-18(3)15(20)13(17(23)24-18)14(19)11-7-5-6-8-12(11)16(21)22/h4-9,13H,1H2,2-3H3,(H,21,22)/b10-9+/t13?,18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.02E+5n/an/an/an/an/an/a8.5n/a



Institute for Chemical Biology & Drug Discovery



Assay Description
Binding of TLM and the TLM analogs to KasA was quantified by monitoring changes in the intrinsic tryptophan fluroescence of the enzyme using 280-nm e...


J Biol Chem 288: 6045-52 (2013)


Article DOI: 10.1074/jbc.M112.414516
BindingDB Entry DOI: 10.7270/Q2KP80S4
More data for this
Ligand-Target Pair
3-oxoacyl-[acyl-carrier-protein] synthase 1


(Mycobacterium tuberculosis)
BDBM93053
PNG
(TLM analog, 10)
Show SMILES C\C(C=C)=C/[C@@]1(C)SC(=O)C(C(=O)c2ccccc2C(O)=O)C1=O |r|
Show InChI InChI=1S/C18H16O5S/c1-4-10(2)9-18(3)15(20)13(17(23)24-18)14(19)11-7-5-6-8-12(11)16(21)22/h4-9,13H,1H2,2-3H3,(H,21,22)/b10-9+/t13?,18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.43E+4n/an/an/a8.5n/a



Institute for Chemical Biology & Drug Discovery



Assay Description
Binding of TLM and the TLM analogs to KasA was quantified by monitoring changes in the intrinsic tryptophan fluroescence of the enzyme using 280-nm e...


J Biol Chem 288: 6045-52 (2013)


Article DOI: 10.1074/jbc.M112.414516
BindingDB Entry DOI: 10.7270/Q2KP80S4
More data for this
Ligand-Target Pair