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BDBM50091181 4-[2-(4-Methyl-thiazol-2-yl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide::CHEMBL109017

SMILES: Cc1csc(n1)-c1nc(cn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F

InChI Key: InChIKey=NCQAPPLITRJWMF-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50091181   
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-1 (COX-1)


(Homo sapiens (Human))
BDBM50091181
PNG
(4-[2-(4-Methyl-thiazol-2-yl)-4-trifluoromethyl-imi...)
Show SMILES Cc1csc(n1)-c1nc(cn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H11F3N4O2S2/c1-8-7-24-13(19-8)12-20-11(14(15,16)17)6-21(12)9-2-4-10(5-3-9)25(18,22)23/h2-7H,1H3,(H2,18,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 1


J Med Chem 43: 3168-85 (2000)


BindingDB Entry DOI: 10.7270/Q2513XG3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50091181
PNG
(4-[2-(4-Methyl-thiazol-2-yl)-4-trifluoromethyl-imi...)
Show SMILES Cc1csc(n1)-c1nc(cn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H11F3N4O2S2/c1-8-7-24-13(19-8)12-20-11(14(15,16)17)6-21(12)9-2-4-10(5-3-9)25(18,22)23/h2-7H,1H3,(H2,18,22,23)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human Prostaglandin G/H synthase 2


J Med Chem 43: 3168-85 (2000)


BindingDB Entry DOI: 10.7270/Q2513XG3
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))
BDBM50091181
PNG
(4-[2-(4-Methyl-thiazol-2-yl)-4-trifluoromethyl-imi...)
Show SMILES Cc1csc(n1)-c1nc(cn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H11F3N4O2S2/c1-8-7-24-13(19-8)12-20-11(14(15,16)17)6-21(12)9-2-4-10(5-3-9)25(18,22)23/h2-7H,1H3,(H2,18,22,23)
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



The M.S University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX-2 expressed in Baculovirus infected sf9 cells using arachidonic acid as substrate preincubated for 10 mins follow...


Eur J Med Chem 162: 1-17 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.054
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50091181
PNG
(4-[2-(4-Methyl-thiazol-2-yl)-4-trifluoromethyl-imi...)
Show SMILES Cc1csc(n1)-c1nc(cn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H11F3N4O2S2/c1-8-7-24-13(19-8)12-20-11(14(15,16)17)6-21(12)9-2-4-10(5-3-9)25(18,22)23/h2-7H,1H3,(H2,18,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 109n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 45: 4847-57 (2002)


BindingDB Entry DOI: 10.7270/Q2SX6FFJ
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50091181
PNG
(4-[2-(4-Methyl-thiazol-2-yl)-4-trifluoromethyl-imi...)
Show SMILES Cc1csc(n1)-c1nc(cn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C14H11F3N4O2S2/c1-8-7-24-13(19-8)12-20-11(14(15,16)17)6-21(12)9-2-4-10(5-3-9)25(18,22)23/h2-7H,1H3,(H2,18,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 110n/an/an/an/an/an/a



Universit£ de Lille 2

Curated by ChEMBL


Assay Description
Inhibition of human Prostaglandin G/H synthase 2


J Med Chem 44: 3223-30 (2001)


BindingDB Entry DOI: 10.7270/Q2736S4D
More data for this
Ligand-Target Pair