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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50044060'   
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 1


(Homo sapiens (Human))
BDBM50044060
PNG
(CHEMBL278246 | N-{5-[1-(3,5-Di-tert-butyl-4-hydrox...)
Show SMILES [#6]C([#6])([#6])c1cc(cc(c1-[#8])C([#6])([#6])[#6])-[#6](=[#6])-c1sc(\[#7]=[#6](/[#7])-[#7])nc1-[#8]
Show InChI InChI=1S/C20H28N4O2S/c1-10(15-16(26)23-18(27-15)24-17(21)22)11-8-12(19(2,3)4)14(25)13(9-11)20(5,6)7/h8-9,25-26H,1H2,2-7H3,(H4,21,22,23,24)
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 460n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against ovine Prostaglandin G/H synthase 1


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 1


(Homo sapiens (Human))
BDBM50044060
PNG
(CHEMBL278246 | N-{5-[1-(3,5-Di-tert-butyl-4-hydrox...)
Show SMILES [#6]C([#6])([#6])c1cc(cc(c1-[#8])C([#6])([#6])[#6])-[#6](=[#6])-c1sc(\[#7]=[#6](/[#7])-[#7])nc1-[#8]
Show InChI InChI=1S/C20H28N4O2S/c1-10(15-16(26)23-18(27-15)24-17(21)22)11-8-12(19(2,3)4)14(25)13(9-11)20(5,6)7/h8-9,25-26H,1H2,2-7H3,(H4,21,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 against Prostaglandin G/H synthase 1 from human platelet rich plasma


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