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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phospholipase' and Ligand = 'BDBM75442'   
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
Phospholipase


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM75442
PNG
(2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)15-16-28-20-13-11-18(12-14-20)24-22-9-4-5-10-23(22)29-25(24)19-7-6-8-21(17-19)27-3/h4-14,17H,15-16H2,1-3H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.50E+3n/an/an/an/a7.5n/a



Vanderbilt University



Assay Description
In a 96-black well plate, in a final reaction volume of 200 μL, the following components were combined on ice to yield final concentrations of 5...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair
Phospholipase


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM75442
PNG
(2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phe...)
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C25H25NO2S/c1-26(2)15-16-28-20-13-11-18(12-14-20)24-22-9-4-5-10-23(22)29-25(24)19-7-6-8-21(17-19)27-3/h4-14,17H,15-16H2,1-3H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.61E+4n/an/an/an/a7.5n/a



Vanderbilt University



Assay Description
In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...


ACS Chem Biol 10: 421-32 (2015)


Article DOI: 10.1021/cb500828m
BindingDB Entry DOI: 10.7270/Q2H70DK8
More data for this
Ligand-Target Pair