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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'cattoor' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50269630
PNG
(CHEMBL512227 | humulone)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#6]-1-[#6](=O)-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)C([#8])([#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O
Show InChI InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14-15,17,26H,8,10-11H2,1-6H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Ghent University-UGent

Curated by ChEMBL


Assay Description
Inhibition of COX2-mediated PGE2 production in LPS-induced mouse MC3T3-E1 cells


J Nat Prod 72: 1220-30 (2009)


Article DOI: 10.1021/np800740m
BindingDB Entry DOI: 10.7270/Q2SQ90R8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50269630
PNG
(CHEMBL512227 | humulone)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#6]-1-[#6](=O)-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)C([#8])([#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O
Show InChI InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14-15,17,26H,8,10-11H2,1-6H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Ghent University-UGent

Curated by ChEMBL


Assay Description
Inhibition of COX2 catalytic activity


J Nat Prod 72: 1220-30 (2009)


Article DOI: 10.1021/np800740m
BindingDB Entry DOI: 10.7270/Q2SQ90R8
More data for this
Ligand-Target Pair