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BDBM50332340 3-(4-(methylsulfonyl)phenyl)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide::CHEMBL1632404

SMILES: CS(=O)(=O)c1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(N)=S

InChI Key: InChIKey=QCLMXDMMJFZLEK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50332340   
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))
BDBM50332340
PNG
(3-(4-(methylsulfonyl)phenyl)-5-phenyl-4,5-dihydro-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=NN(C(C1)c1ccccc1)C(N)=S
Show InChI InChI=1S/C17H17N3O2S2/c1-24(21,22)14-9-7-12(8-10-14)15-11-16(20(19-15)17(18)23)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3,(H2,18,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.03E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 expressed in baculovirus infected SF21 cell


Eur J Med Chem 45: 6135-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.005
BindingDB Entry DOI: 10.7270/Q2PV6KMT
More data for this
Ligand-Target Pair