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Compile Data Set for Download or QSAR

Found 6 hits of kd for UniProtKB: P05979   
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 (cyclooxygenase)


(Ovis aries (Sheep))
BDBM23417
PNG
(α-CA inhibitor, 4 | (-)-Epicatechin | (2R,3R)...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
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Article
PubMed
n/an/an/a 2.59E+4n/an/an/an/an/a



University of Pennsylvania School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to COX1 in sheep seminal vesicle


J Nat Prod 67: 1777-82 (2004)


Article DOI: 10.1021/np0498410
BindingDB Entry DOI: 10.7270/Q2XD12JH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50135167
PNG
((+)-epicatechin | (-) epicatechine | (2S,3S)-2-(3,...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1
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Article
PubMed
n/an/an/a 2.51E+4n/an/an/an/an/a



University of Pennsylvania School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to COX1 in sheep seminal vesicle


J Nat Prod 67: 1777-82 (2004)


Article DOI: 10.1021/np0498410
BindingDB Entry DOI: 10.7270/Q2XD12JH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM26189
PNG
(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Show SMILES Oc1cccc(O)c1
Show InChI InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
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Article
PubMed
n/an/an/a 8.69E+4n/an/an/an/an/a



University of Pennsylvania School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to COX1 in sheep seminal vesicle


J Nat Prod 67: 1777-82 (2004)


Article DOI: 10.1021/np0498410
BindingDB Entry DOI: 10.7270/Q2XD12JH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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Article
PubMed
n/an/an/a 1.17E+4n/an/an/an/an/a



University of Pennsylvania School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to COX1 in sheep seminal vesicle


J Nat Prod 67: 1777-82 (2004)


Article DOI: 10.1021/np0498410
BindingDB Entry DOI: 10.7270/Q2XD12JH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50236527
PNG
((-)-catechin | (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1
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Article
PubMed
n/an/an/a 4.87E+4n/an/an/an/an/a



University of Pennsylvania School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to COX1 in sheep seminal vesicle


J Nat Prod 67: 1777-82 (2004)


Article DOI: 10.1021/np0498410
BindingDB Entry DOI: 10.7270/Q2XD12JH
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM23416
PNG
(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
PDB

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Article
PubMed
n/an/an/a 4.07E+4n/an/an/an/an/a



University of Pennsylvania School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to COX1 in sheep seminal vesicle


J Nat Prod 67: 1777-82 (2004)


Article DOI: 10.1021/np0498410
BindingDB Entry DOI: 10.7270/Q2XD12JH
More data for this
Ligand-Target Pair