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BDBM50138452 2-Hydroxymethyl-4-(5-p-tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide::CHEMBL357543

SMILES: Cc1ccc(cc1)-c1cc(nn1-c1ccc(c(CO)c1)S(N)(=O)=O)C(F)(F)F

InChI Key: InChIKey=HPGHKJXZFPDDRV-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50138452   
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))
BDBM50138452
PNG
(2-Hydroxymethyl-4-(5-p-tolyl-3-trifluoromethyl-pyr...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(c(CO)c1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-2-4-12(5-3-11)15-9-17(18(19,20)21)23-24(15)14-6-7-16(28(22,26)27)13(8-14)10-25/h2-9,25H,10H2,1H3,(H2,22,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 760n/an/an/an/an/an/a



Discovery Research-Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against human Prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus


Bioorg Med Chem Lett 14: 499-504 (2003)


BindingDB Entry DOI: 10.7270/Q280522Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50138452
PNG
(2-Hydroxymethyl-4-(5-p-tolyl-3-trifluoromethyl-pyr...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(c(CO)c1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O3S/c1-11-2-4-12(5-3-11)15-9-17(18(19,20)21)23-24(15)14-6-7-16(28(22,26)27)13(8-14)10-25/h2-9,25H,10H2,1H3,(H2,22,26,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.78E+5n/an/an/an/an/an/a



Discovery Research-Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 1 from ram seminal vesicles


Bioorg Med Chem Lett 14: 499-504 (2003)


BindingDB Entry DOI: 10.7270/Q280522Q
More data for this
Ligand-Target Pair