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BDBM50288328 4-(8-Fluoro-7-methoxy-4-oxo-3-trifluoromethyl-4,5-dihydro-4lambda*4*-isothiochromeno[4,3-c]pyrazol-1-yl)-benzenesulfonamide::CHEMBL94274

SMILES: COc1cc2CS(=O)c3c(nn(c3-c2cc1F)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F

InChI Key: InChIKey=FRIIUWRGBWUBIL-UHFFFAOYNA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50288328   
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))
BDBM50288328
PNG
(4-(8-Fluoro-7-methoxy-4-oxo-3-trifluoromethyl-4,5-...)
Show SMILES COc1cc2CS(=O)c3c(nn(c3-c2cc1F)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1/C18H13F4N3O4S2/c1-29-14-6-9-8-30(26)16-15(12(9)7-13(14)19)25(24-17(16)18(20,21)22)10-2-4-11(5-3-10)31(23,27)28/h2-7H,8H2,1H3,(H2,23,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 1 (COX-1)


Bioorg Med Chem Lett 6: 2827-2830 (1996)


Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50288328
PNG
(4-(8-Fluoro-7-methoxy-4-oxo-3-trifluoromethyl-4,5-...)
Show SMILES COc1cc2CS(=O)c3c(nn(c3-c2cc1F)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1/C18H13F4N3O4S2/c1-29-14-6-9-8-30(26)16-15(12(9)7-13(14)19)25(24-17(16)18(20,21)22)10-2-4-11(5-3-10)31(23,27)28/h2-7H,8H2,1H3,(H2,23,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Prostaglandin G/H synthase 2 (COX-2)


Bioorg Med Chem Lett 6: 2827-2830 (1996)


Article DOI: 10.1016/S0960-894X(96)00530-6
BindingDB Entry DOI: 10.7270/Q2GX4BJ3
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50288328
PNG
(4-(8-Fluoro-7-methoxy-4-oxo-3-trifluoromethyl-4,5-...)
Show SMILES COc1cc2CS(=O)c3c(nn(c3-c2cc1F)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1/C18H13F4N3O4S2/c1-29-14-6-9-8-30(26)16-15(12(9)7-13(14)19)25(24-17(16)18(20,21)22)10-2-4-11(5-3-10)31(23,27)28/h2-7H,8H2,1H3,(H2,23,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX-2 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-008-9136-x
BindingDB Entry DOI: 10.7270/Q2N58NVB
More data for this
Ligand-Target Pair