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BDBM50076874 2-Benzyl-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazole::CHEMBL17276

SMILES: CS(=O)(=O)c1ccc(cc1)-c1sc(Cc2ccccc2)nc1-c1ccc(F)cc1

InChI Key: InChIKey=JYEIFLFWIPVEJV-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50076874   
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50076874
PNG
(2-Benzyl-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc(Cc2ccccc2)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C23H18FNO2S2/c1-29(26,27)20-13-9-18(10-14-20)23-22(17-7-11-19(24)12-8-17)25-21(28-23)15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



G.D. Searle-Monsanto

Curated by ChEMBL


Assay Description
Inhibition of human cyclooxygenase-2 (hCOX-2) enzyme.


Bioorg Med Chem Lett 9: 1167-70 (1999)


Article DOI: 10.1016/s0960-894x(99)00158-4
BindingDB Entry DOI: 10.7270/Q2HT2NHW
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50076874
PNG
(2-Benzyl-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc(Cc2ccccc2)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C23H18FNO2S2/c1-29(26,27)20-13-9-18(10-14-20)23-22(17-7-11-19(24)12-8-17)25-21(28-23)15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



G.D. Searle-Monsanto

Curated by ChEMBL


Assay Description
Inhibition of human cyclooxygenase-1 (hCOX-1) enzyme.


Bioorg Med Chem Lett 9: 1167-70 (1999)


Article DOI: 10.1016/s0960-894x(99)00158-4
BindingDB Entry DOI: 10.7270/Q2HT2NHW
More data for this
Ligand-Target Pair