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PubMed code 16252923

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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 (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50005639
PNG
(2-(2-Methylpropanoyl)-1,3,5-benzenetriol | 2-Methy...)
Show SMILES CC(C)C(=O)c1c(O)cc(O)cc1O
Show InChI InChI=1S/C10H12O4/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,11-13H,1-2H3
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Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Fr. 8.2 Pharmakognosie und Analytische Phytochemie der Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of sheep COX1 measured by oxygen consumption


J Nat Prod 68: 1545-8 (2005)


Article DOI: 10.1021/np050164z
BindingDB Entry DOI: 10.7270/Q2ZK5GD7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50269661
PNG
(1-(2-Methylpropanoyl)-phloroglucinol-glucopyranosi...)
Show SMILES CC(C)C(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C16H22O9/c1-6(2)12(20)11-8(19)3-7(18)4-9(11)24-16-15(23)14(22)13(21)10(5-17)25-16/h3-4,6,10,13-19,21-23H,5H2,1-2H3/t10-,13-,14+,15-,16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.37E+4n/an/an/an/an/an/a



Fr. 8.2 Pharmakognosie und Analytische Phytochemie der Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of sheep COX1 measured by oxygen consumption


J Nat Prod 68: 1545-8 (2005)


Article DOI: 10.1021/np050164z
BindingDB Entry DOI: 10.7270/Q2ZK5GD7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50269667
PNG
(5-(2-Methylpropanoyl)-phloroglucinol-glucopyranosi...)
Show SMILES CC(C)C(=O)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O
Show InChI InChI=1S/C16H22O9/c1-6(2)12(20)11-8(18)3-7(4-9(11)19)24-16-15(23)14(22)13(21)10(5-17)25-16/h3-4,6,10,13-19,21-23H,5H2,1-2H3/t10-,13-,14+,15-,16-/m1/s1
PDB

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UniProtKB/SwissProt

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GoogleScholar
CHEMBL
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.87E+4n/an/an/an/an/an/a



Fr. 8.2 Pharmakognosie und Analytische Phytochemie der Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of sheep COX1 measured by oxygen consumption


J Nat Prod 68: 1545-8 (2005)


Article DOI: 10.1021/np050164z
BindingDB Entry DOI: 10.7270/Q2ZK5GD7
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50269662
PNG
(1-(2-methylbutyryl)-phloroglucinol-glucopyranoside...)
Show SMILES CCC(C)C(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C17H24O9/c1-3-7(2)13(21)12-9(20)4-8(19)5-10(12)25-17-16(24)15(23)14(22)11(6-18)26-17/h4-5,7,11,14-20,22-24H,3,6H2,1-2H3/t7?,11-,14-,15+,16-,17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.31E+5n/an/an/an/an/an/a



Fr. 8.2 Pharmakognosie und Analytische Phytochemie der Universität des Saarlandes

Curated by ChEMBL


Assay Description
Inhibition of sheep COX1 measured by oxygen consumption


J Nat Prod 68: 1545-8 (2005)


Article DOI: 10.1021/np050164z
BindingDB Entry DOI: 10.7270/Q2ZK5GD7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%