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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'yin' and Initial = 'lq'   
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))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 100n/an/an/an/an/an/a



China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by ELISA


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50542436
PNG
(CHEMBL4644802)
Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1ccccc1Br
Show InChI InChI=1S/C25H18BrNO/c1-17-24(23(28)16-15-18-9-5-7-13-21(18)26)25(19-10-3-2-4-11-19)20-12-6-8-14-22(20)27-17/h2-16H,1H3/b16-15+
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n/an/a 190n/an/an/an/an/an/a



China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by ELISA


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50542435
PNG
(CHEMBL4642218)
Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1ccc(F)cc1
Show InChI InChI=1S/C25H18FNO/c1-17-24(23(28)16-13-18-11-14-20(26)15-12-18)25(19-7-3-2-4-8-19)21-9-5-6-10-22(21)27-17/h2-16H,1H3/b16-13+
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PC cid
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UniChem
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n/an/a 290n/an/an/an/an/an/a



China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by ELISA


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50542437
PNG
(CHEMBL4641093)
Show SMILES CC(C)c1ccc(\C=C\C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)cc1
Show InChI InChI=1S/C28H25NO/c1-19(2)22-16-13-21(14-17-22)15-18-26(30)27-20(3)29-25-12-8-7-11-24(25)28(27)23-9-5-4-6-10-23/h4-19H,1-3H3/b18-15+
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PC cid
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UniChem
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n/an/a 320n/an/an/an/an/an/a



China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by ELISA


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50542436
PNG
(CHEMBL4644802)
Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1ccccc1Br
Show InChI InChI=1S/C25H18BrNO/c1-17-24(23(28)16-15-18-9-5-7-13-21(18)26)25(19-10-3-2-4-11-19)20-12-6-8-14-22(20)27-17/h2-16H,1H3/b16-15+
PDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.14E+3n/an/an/an/an/an/a



China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by ELISA


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50542437
PNG
(CHEMBL4641093)
Show SMILES CC(C)c1ccc(\C=C\C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)cc1
Show InChI InChI=1S/C28H25NO/c1-19(2)22-16-13-21(14-17-22)15-18-26(30)27-20(3)29-25-12-8-7-11-24(25)28(27)23-9-5-4-6-10-23/h4-19H,1-3H3/b18-15+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.14E+3n/an/an/an/an/an/a



China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by ELISA


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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CHEMBL
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MCE
KEGG
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PC cid
PC sid
PDB
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Article
PubMed
n/an/a 9.34E+3n/an/an/an/an/an/a



China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by ELISA


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50542435
PNG
(CHEMBL4642218)
Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)\C=C\c1ccc(F)cc1
Show InChI InChI=1S/C25H18FNO/c1-17-24(23(28)16-13-18-11-14-20(26)15-12-18)25(19-7-3-2-4-8-19)21-9-5-6-10-22(21)27-17/h2-16H,1H3/b16-13+
PDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.02E+4n/an/an/an/an/an/a



China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by ELISA


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair