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BDBM50153980 3-(4-Methanesulfonyl-phenyl)-6-methyl-2-phenyl-pyrazolo[1,5-b]pyridazine::CHEMBL184613

SMILES: Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=KUIFHRZDNYUKEH-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50153980   
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))
BDBM50153980
PNG
(3-(4-Methanesulfonyl-phenyl)-6-methyl-2-phenyl-pyr...)
Show SMILES Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H17N3O2S/c1-14-8-13-18-19(15-9-11-17(12-10-15)26(2,24)25)20(22-23(18)21-14)16-6-4-3-5-7-16/h3-13H,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<31n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human cyclooxygenase-2 expressed in COS cells


Bioorg Med Chem Lett 14: 5445-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.089
BindingDB Entry DOI: 10.7270/Q2RJ4HZ7
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50153980
PNG
(3-(4-Methanesulfonyl-phenyl)-6-methyl-2-phenyl-pyr...)
Show SMILES Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H17N3O2S/c1-14-8-13-18-19(15-9-11-17(12-10-15)26(2,24)25)20(22-23(18)21-14)16-6-4-3-5-7-16/h3-13H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.39E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human cyclooxygenase-1 expressed in COS cells


Bioorg Med Chem Lett 14: 5445-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.089
BindingDB Entry DOI: 10.7270/Q2RJ4HZ7
More data for this
Ligand-Target Pair