BindingDB logo
myBDB logout

BDBM22357 1,3-Diarylprop-2-yn-1-one, 13n::1-(3,4-dimethoxyphenyl)-3-(4-methanesulfonylphenyl)prop-2-yn-1-one

SMILES: COc1ccc(cc1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=OZHWLRKHAHPLNY-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 = 22357   
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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22357
PNG
(1,3-Diarylprop-2-yn-1-one, 13n | 1-(3,4-dimethoxyp...)
Show SMILES COc1ccc(cc1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16O5S/c1-22-17-11-7-14(12-18(17)23-2)16(19)10-6-13-4-8-15(9-5-13)24(3,20)21/h4-5,7-9,11-12H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEBI
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/a8.037



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM22357
PNG
(1,3-Diarylprop-2-yn-1-one, 13n | 1-(3,4-dimethoxyp...)
Show SMILES COc1ccc(cc1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16O5S/c1-22-17-11-7-14(12-18(17)23-2)16(19)10-6-13-4-8-15(9-5-13)24(3,20)21/h4-5,7-9,11-12H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEBI
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM22357
PNG
(1,3-Diarylprop-2-yn-1-one, 13n | 1-(3,4-dimethoxyp...)
Show SMILES COc1ccc(cc1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16O5S/c1-22-17-11-7-14(12-18(17)23-2)16(19)10-6-13-4-8-15(9-5-13)24(3,20)21/h4-5,7-9,11-12H,1-3H3
KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEBI
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Alberta



Assay Description
The lipoxygenase inhibitor screening assay detects and measures the hydroperoxides produced in the lipoxygenation reaction using a purified lipoxygen...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM22357
PNG
(1,3-Diarylprop-2-yn-1-one, 13n | 1-(3,4-dimethoxyp...)
Show SMILES COc1ccc(cc1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16O5S/c1-22-17-11-7-14(12-18(17)23-2)16(19)10-6-13-4-8-15(9-5-13)24(3,20)21/h4-5,7-9,11-12H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEBI
PC cid
PC sid
UniChem

Similars

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



University of Alberta



Assay Description
The COX enzyme activities were measured using the COX Inhibitor Screening Assay kit provided by Cayman (Cayman, Chemical Co., Ann Arbor, MI). The as...


J Med Chem 49: 1668-83 (2006)


Article DOI: 10.1021/jm0510474
BindingDB Entry DOI: 10.7270/Q2DV1H5S
More data for this
Ligand-Target Pair