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BDBM50086497 3-(4-Chloro-phenyl)-5-fluoro-1-(4-methoxy-phenyl)-4,5,6,7-tetrahydro-1H-indazole::CHEMBL347688

SMILES: COc1ccc(cc1)-n1nc(c2CC(F)CCc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=OUWFYTHABPBKTA-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 = 50086497   
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))
BDBM50086497
PNG
(3-(4-Chloro-phenyl)-5-fluoro-1-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)-n1nc(c2CC(F)CCc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClFN2O/c1-25-17-9-7-16(8-10-17)24-19-11-6-15(22)12-18(19)20(23-24)13-2-4-14(21)5-3-13/h2-5,7-10,15H,6,11-12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human prostaglandin G/H synthase 2 in ECV-304 cells measured by the presence of PGE-2


Bioorg Med Chem Lett 10: 601-4 (2000)


BindingDB Entry DOI: 10.7270/Q2TH8KWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50086497
PNG
(3-(4-Chloro-phenyl)-5-fluoro-1-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)-n1nc(c2CC(F)CCc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClFN2O/c1-25-17-9-7-16(8-10-17)24-19-11-6-15(22)12-18(19)20(23-24)13-2-4-14(21)5-3-13/h2-5,7-10,15H,6,11-12H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human prostaglandin G/H synthase 1 in platelet-rich plasma measured by the presence of thromboxane A2


Bioorg Med Chem Lett 10: 601-4 (2000)


BindingDB Entry DOI: 10.7270/Q2TH8KWZ
More data for this
Ligand-Target Pair