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BDBM50376853 CHEMBL258986

SMILES: NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1c[nH]c2ccccc12)C(F)(F)F

InChI Key: InChIKey=VUSRFTDIRYHHTA-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50376853   
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))
BDBM50376853
PNG
(CHEMBL258986)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1c[nH]c2ccccc12)C(F)(F)F |c:12|
Show InChI InChI=1S/C18H15F3N4O2S/c19-18(20,21)17-9-16(14-10-23-15-4-2-1-3-13(14)15)25(24-17)11-5-7-12(8-6-11)28(22,26)27/h1-8,10,16,23H,9H2,(H2,22,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 16: 3907-16 (2008)


Article DOI: 10.1016/j.bmc.2008.01.047
BindingDB Entry DOI: 10.7270/Q2S46SV4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50376853
PNG
(CHEMBL258986)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1c[nH]c2ccccc12)C(F)(F)F |c:12|
Show InChI InChI=1S/C18H15F3N4O2S/c19-18(20,21)17-9-16(14-10-23-15-4-2-1-3-13(14)15)25(24-17)11-5-7-12(8-6-11)28(22,26)27/h1-8,10,16,23H,9H2,(H2,22,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 3907-16 (2008)


Article DOI: 10.1016/j.bmc.2008.01.047
BindingDB Entry DOI: 10.7270/Q2S46SV4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50376853
PNG
(CHEMBL258986)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1c[nH]c2ccccc12)C(F)(F)F |c:12|
Show InChI InChI=1S/C18H15F3N4O2S/c19-18(20,21)17-9-16(14-10-23-15-4-2-1-3-13(14)15)25(24-17)11-5-7-12(8-6-11)28(22,26)27/h1-8,10,16,23H,9H2,(H2,22,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.25E+4n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 3907-16 (2008)


Article DOI: 10.1016/j.bmc.2008.01.047
BindingDB Entry DOI: 10.7270/Q2S46SV4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50376853
PNG
(CHEMBL258986)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1c[nH]c2ccccc12)C(F)(F)F |c:12|
Show InChI InChI=1S/C18H15F3N4O2S/c19-18(20,21)17-9-16(14-10-23-15-4-2-1-3-13(14)15)25(24-17)11-5-7-12(8-6-11)28(22,26)27/h1-8,10,16,23H,9H2,(H2,22,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 16: 3907-16 (2008)


Article DOI: 10.1016/j.bmc.2008.01.047
BindingDB Entry DOI: 10.7270/Q2S46SV4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50376853
PNG
(CHEMBL258986)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1c[nH]c2ccccc12)C(F)(F)F |c:12|
Show InChI InChI=1S/C18H15F3N4O2S/c19-18(20,21)17-9-16(14-10-23-15-4-2-1-3-13(14)15)25(24-17)11-5-7-12(8-6-11)28(22,26)27/h1-8,10,16,23H,9H2,(H2,22,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 850n/an/an/an/an/an/a



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 3907-16 (2008)


Article DOI: 10.1016/j.bmc.2008.01.047
BindingDB Entry DOI: 10.7270/Q2S46SV4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50376853
PNG
(CHEMBL258986)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1c[nH]c2ccccc12)C(F)(F)F |c:12|
Show InChI InChI=1S/C18H15F3N4O2S/c19-18(20,21)17-9-16(14-10-23-15-4-2-1-3-13(14)15)25(24-17)11-5-7-12(8-6-11)28(22,26)27/h1-8,10,16,23H,9H2,(H2,22,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Temple University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 16: 3907-16 (2008)


Article DOI: 10.1016/j.bmc.2008.01.047
BindingDB Entry DOI: 10.7270/Q2S46SV4
More data for this
Ligand-Target Pair