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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'venkateswara swamy' 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


(Ovis aries (Sheep))
BDBM50491246
PNG
(Darbufelone)
Show SMILES CC(C)(C)c1cc(\C=C2/SC(N)=NC2=O)cc(c1O)C(C)(C)C |c:11|
Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)/b13-9-
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX-2 using arachidonic acid as substrate assessed as production of PGF2alpha by enzyme immunoassay in presence of stan...


Bioorg Med Chem 21: 2551-9 (2013)


Article DOI: 10.1016/j.bmc.2013.02.033
BindingDB Entry DOI: 10.7270/Q2H41VBV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50491247
PNG
(CHEMBL527577 | TCMDC-123490)
Show SMILES [#6]C([#6])([#6])[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6]-1=O)C([#6])([#6])[#6])=[#7]\[#7]-[#6](=O)-c1ccncc1 |c:7,t:4|
Show InChI InChI=1S/C20H25N3O2/c1-19(2,3)15-11-14(12-16(17(15)24)20(4,5)6)22-23-18(25)13-7-9-21-10-8-13/h7-12H,1-6H3,(H,23,25)
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UniChem
Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX-2 using arachidonic acid as substrate assessed as production of PGF2alpha by enzyme immunoassay in presence of stan...


Bioorg Med Chem 21: 2551-9 (2013)


Article DOI: 10.1016/j.bmc.2013.02.033
BindingDB Entry DOI: 10.7270/Q2H41VBV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50491244
PNG
(CHEMBL2380930)
Show SMILES [#6]C([#6])([#6])[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6]-1=O)C([#6])([#6])[#6])=[#7]/[#7]-[#6](=O)-c1cccnc1 |c:7,t:4|
Show InChI InChI=1S/C20H25N3O2/c1-19(2,3)15-10-14(11-16(17(15)24)20(4,5)6)22-23-18(25)13-8-7-9-21-12-13/h7-12H,1-6H3,(H,23,25)
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PC cid
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UniChem
Article
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX-2 using arachidonic acid as substrate assessed as production of PGF2alpha by enzyme immunoassay in presence of stan...


Bioorg Med Chem 21: 2551-9 (2013)


Article DOI: 10.1016/j.bmc.2013.02.033
BindingDB Entry DOI: 10.7270/Q2H41VBV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50491245
PNG
(CHEMBL2380929)
Show SMILES [#6]C([#6])([#6])[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6]-1=O)C([#6])([#6])[#6])=[#7]/[#7]-[#6](=O)-c1ccccc1 |c:7,t:4|
Show InChI InChI=1S/C21H26N2O2/c1-20(2,3)16-12-15(13-17(18(16)24)21(4,5)6)22-23-19(25)14-10-8-7-9-11-14/h7-13H,1-6H3,(H,23,25)
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PC cid
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UniChem
Article
PubMed
n/an/a 9.50E+3n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of sheep placental COX-2 using arachidonic acid as substrate assessed as production of PGF2alpha by enzyme immunoassay in presence of stan...


Bioorg Med Chem 21: 2551-9 (2013)


Article DOI: 10.1016/j.bmc.2013.02.033
BindingDB Entry DOI: 10.7270/Q2H41VBV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50491245
PNG
(CHEMBL2380929)
Show SMILES [#6]C([#6])([#6])[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6]-1=O)C([#6])([#6])[#6])=[#7]/[#7]-[#6](=O)-c1ccccc1 |c:7,t:4|
Show InChI InChI=1S/C21H26N2O2/c1-20(2,3)16-12-15(13-17(18(16)24)21(4,5)6)22-23-19(25)14-10-8-7-9-11-14/h7-13H,1-6H3,(H,23,25)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX-1 using arachidonic acid as substrate assessed as production of PGF2alpha by enzyme immunoassay in presence of ...


Bioorg Med Chem 21: 2551-9 (2013)


Article DOI: 10.1016/j.bmc.2013.02.033
BindingDB Entry DOI: 10.7270/Q2H41VBV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50491246
PNG
(Darbufelone)
Show SMILES CC(C)(C)c1cc(\C=C2/SC(N)=NC2=O)cc(c1O)C(C)(C)C |c:11|
Show InChI InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)/b13-9-
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX-1 using arachidonic acid as substrate assessed as production of PGF2alpha by enzyme immunoassay in presence of ...


Bioorg Med Chem 21: 2551-9 (2013)


Article DOI: 10.1016/j.bmc.2013.02.033
BindingDB Entry DOI: 10.7270/Q2H41VBV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50491244
PNG
(CHEMBL2380930)
Show SMILES [#6]C([#6])([#6])[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6]-1=O)C([#6])([#6])[#6])=[#7]/[#7]-[#6](=O)-c1cccnc1 |c:7,t:4|
Show InChI InChI=1S/C20H25N3O2/c1-19(2,3)15-10-14(11-16(17(15)24)20(4,5)6)22-23-18(25)13-8-7-9-21-12-13/h7-12H,1-6H3,(H,23,25)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.86E+4n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX-1 using arachidonic acid as substrate assessed as production of PGF2alpha by enzyme immunoassay in presence of ...


Bioorg Med Chem 21: 2551-9 (2013)


Article DOI: 10.1016/j.bmc.2013.02.033
BindingDB Entry DOI: 10.7270/Q2H41VBV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50491247
PNG
(CHEMBL527577 | TCMDC-123490)
Show SMILES [#6]C([#6])([#6])[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6]-1=O)C([#6])([#6])[#6])=[#7]\[#7]-[#6](=O)-c1ccncc1 |c:7,t:4|
Show InChI InChI=1S/C20H25N3O2/c1-19(2,3)15-11-14(12-16(17(15)24)20(4,5)6)22-23-18(25)13-7-9-21-10-8-13/h7-12H,1-6H3,(H,23,25)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.57E+4n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of ram seminal vesicle COX-1 using arachidonic acid as substrate assessed as production of PGF2alpha by enzyme immunoassay in presence of ...


Bioorg Med Chem 21: 2551-9 (2013)


Article DOI: 10.1016/j.bmc.2013.02.033
BindingDB Entry DOI: 10.7270/Q2H41VBV
More data for this
Ligand-Target Pair