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BDBM154521 22GY (17d)

SMILES: COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCOCC2)cc1

InChI Key: InChIKey=KOVIKBQUWRXSED-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 154521   
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
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM154521
PNG
(22GY (17d))
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C27H27NO3S/c1-29-23-6-4-5-21(19-23)27-26(24-7-2-3-8-25(24)32-27)20-9-11-22(12-10-20)31-18-15-28-13-16-30-17-14-28/h2-12,19H,13-18H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...


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 D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154521
PNG
(22GY (17d))
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C27H27NO3S/c1-29-23-6-4-5-21(19-23)27-26(24-7-2-3-8-25(24)32-27)20-9-11-22(12-10-20)31-18-15-28-13-16-30-17-14-28/h2-12,19H,13-18H2,1H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/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 D (PldA)


(Pseudomonas aeruginosa (g-Proteobacteria))
BDBM154521
PNG
(22GY (17d))
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C27H27NO3S/c1-29-23-6-4-5-21(19-23)27-26(24-7-2-3-8-25(24)32-27)20-9-11-22(12-10-20)31-18-15-28-13-16-30-17-14-28/h2-12,19H,13-18H2,1H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/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
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM154521
PNG
(22GY (17d))
Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCOCC2)cc1
Show InChI InChI=1S/C27H27NO3S/c1-29-23-6-4-5-21(19-23)27-26(24-7-2-3-8-25(24)32-27)20-9-11-22(12-10-20)31-18-15-28-13-16-30-17-14-28/h2-12,19H,13-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Vanderbilt University



Assay Description
Briefly, PLD activity was measured as the release of free [3H]-choline from [choline-methyl-3H] dipalmitoylphosphatidylcholine ([3H]-DPPC). 3−5...


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