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BDBM50057563 4-(5-Thiochroman-6-yl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide::CHEMBL29469

SMILES: NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc2SCCCc2c1)C(F)(F)F

InChI Key: InChIKey=IPJJJUBJXLSQLJ-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50057563   
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))
BDBM50057563
PNG
(4-(5-Thiochroman-6-yl-3-trifluoromethyl-pyrazol-1-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc2SCCCc2c1)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O2S2/c20-19(21,22)18-11-16(12-3-8-17-13(10-12)2-1-9-28-17)25(24-18)14-4-6-15(7-5-14)29(23,26)27/h3-8,10-11H,1-2,9H2,(H2,23,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.29E+4n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50057563
PNG
(4-(5-Thiochroman-6-yl-3-trifluoromethyl-pyrazol-1-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc2SCCCc2c1)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O2S2/c20-19(21,22)18-11-16(12-3-8-17-13(10-12)2-1-9-28-17)25(24-18)14-4-6-15(7-5-14)29(23,26)27/h3-8,10-11H,1-2,9H2,(H2,23,26,27)
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 229n/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)


Article DOI: 10.1021/jm0101343
BindingDB Entry DOI: 10.7270/Q2736S4D
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50057563
PNG
(4-(5-Thiochroman-6-yl-3-trifluoromethyl-pyrazol-1-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc2SCCCc2c1)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O2S2/c20-19(21,22)18-11-16(12-3-8-17-13(10-12)2-1-9-28-17)25(24-18)14-4-6-15(7-5-14)29(23,26)27/h3-8,10-11H,1-2,9H2,(H2,23,26,27)
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 230n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block human recombinant prostaglandin G/H synthase 2 (COX-2)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair