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SMILES: CCc1c(NCc2cccs2)nc(nc1C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=CDYDNSAEJNAEKC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50373575   
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 2


(Homo sapiens (Human))
BDBM50373575
PNG
(CHEMBL270517)
Show SMILES CCc1c(NCc2cccs2)nc(nc1C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18F3N3O2S2/c1-3-15-16(19(20,21)22)24-17(12-6-8-14(9-7-12)29(2,26)27)25-18(15)23-11-13-5-4-10-28-13/h4-10H,3,11H2,1-2H3,(H,23,24,25)
PDB
MMDB

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Article
PubMed
n/an/a 121n/an/an/an/an/an/a



Faes Farma S.A.

Curated by ChEMBL


Assay Description
Inhibition of human COX2 in human whole blood


Bioorg Med Chem 16: 2183-99 (2008)


Article DOI: 10.1016/j.bmc.2007.11.079
BindingDB Entry DOI: 10.7270/Q2GX4CDQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50373575
PNG
(CHEMBL270517)
Show SMILES CCc1c(NCc2cccs2)nc(nc1C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18F3N3O2S2/c1-3-15-16(19(20,21)22)24-17(12-6-8-14(9-7-12)29(2,26)27)25-18(15)23-11-13-5-4-10-28-13/h4-10H,3,11H2,1-2H3,(H,23,24,25)
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UniChem

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Article
n/an/a 121n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 in Homo sapiens (human) whole blood


Citation and Details

Article DOI: 10.1007/s00044-011-9566-8
BindingDB Entry DOI: 10.7270/Q2Q81GZM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50373575
PNG
(CHEMBL270517)
Show SMILES CCc1c(NCc2cccs2)nc(nc1C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H18F3N3O2S2/c1-3-15-16(19(20,21)22)24-17(12-6-8-14(9-7-12)29(2,26)27)25-18(15)23-11-13-5-4-10-28-13/h4-10H,3,11H2,1-2H3,(H,23,24,25)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/a 8.27E+6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of COX2 in Homo sapiens (human) whole blood


Citation and Details

Article DOI: 10.1007/s00044-011-9566-8
BindingDB Entry DOI: 10.7270/Q2Q81GZM
More data for this
Ligand-Target Pair