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BDBM198175 2-((5-(4-Chlorophenylamino)-1,3,4-thiadiazol-2-yl)methyl)-5,6-diphenyl-1,2,4-triazin-3(2H)-one (4d)

SMILES: Clc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)s2)cc1

InChI Key: InChIKey=NIWSMJIVUFQTSU-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 198175   
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-2)


(Ovis aries (Sheep))
BDBM198175
PNG
(2-((5-(4-Chlorophenylamino)-1,3,4-thiadiazol-2-yl)...)
Show SMILES Clc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)s2)cc1
Show InChI InChI=1S/C24H17ClN6OS/c25-18-11-13-19(14-12-18)26-23-29-28-20(33-23)15-31-24(32)27-21(16-7-3-1-4-8-16)22(30-31)17-9-5-2-6-10-17/h1-14H,15H2,(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
960n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)



Assay Description
The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...


Bioorg Chem 69: 102-120 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.003
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM198175
PNG
(2-((5-(4-Chlorophenylamino)-1,3,4-thiadiazol-2-yl)...)
Show SMILES Clc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)s2)cc1
Show InChI InChI=1S/C24H17ClN6OS/c25-18-11-13-19(14-12-18)26-23-29-28-20(33-23)15-31-24(32)27-21(16-7-3-1-4-8-16)22(30-31)17-9-5-2-6-10-17/h1-14H,15H2,(H,26,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.22E+4n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)



Assay Description
The ability of the compounds (3c-3e and 4c-4e) to inhibit ovine COX-1 and COX-2 was evaluated using a colorimetric COX (ovine) inhibitor screening as...


Bioorg Chem 69: 102-120 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.003
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM198175
PNG
(2-((5-(4-Chlorophenylamino)-1,3,4-thiadiazol-2-yl)...)
Show SMILES Clc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)s2)cc1
Show InChI InChI=1S/C24H17ClN6OS/c25-18-11-13-19(14-12-18)26-23-29-28-20(33-23)15-31-24(32)27-21(16-7-3-1-4-8-16)22(30-31)17-9-5-2-6-10-17/h1-14H,15H2,(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.11E+3n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)



Assay Description
The ability of the compounds (3c-3e and 4c-4e) to inhibit ovine COX-1 and COX-2 was evaluated using a colorimetric COX (ovine) inhibitor screening as...


Bioorg Chem 69: 102-120 (2016)


Article DOI: 10.1016/j.bioorg.2016.10.003
More data for this
Ligand-Target Pair