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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50075516'   
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))
BDBM50075516
PNG
(2-Allyloxyamino-5-[1-(3,5-di-tert-butyl-4-hydroxy-...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NOCC=C)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:15|
Show InChI InChI=1S/C21H28N2O3S/c1-8-9-26-23-19-22-18(25)16(27-19)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h8,10-12,24H,1,9H2,2-7H3,(H,22,23,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.


J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50075516
PNG
(2-Allyloxyamino-5-[1-(3,5-di-tert-butyl-4-hydroxy-...)
Show SMILES CC(C)(C)c1cc(C=C2SC(NOCC=C)=NC2=O)cc(c1O)C(C)(C)C |w:7.6,c:15|
Show InChI InChI=1S/C21H28N2O3S/c1-8-9-26-23-19-22-18(25)16(27-19)12-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h8,10-12,24H,1,9H2,2-7H3,(H,22,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against recombinant human Prostaglandin G/H synthase 2


J Med Chem 42: 1151-60 (1999)


Article DOI: 10.1021/jm9805081
BindingDB Entry DOI: 10.7270/Q24X56Z3
More data for this
Ligand-Target Pair