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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50434675   
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 E synthase


(Homo sapiens (Human))
BDBM50434675
PNG
(CHEMBL2387502)
Show SMILES [O-][N+](=O)c1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
Show InChI InChI=1S/C22H13ClN4O3/c23-15-7-4-8-17(27(29)30)18(15)21-25-19-14-10-9-13(12-5-2-1-3-6-12)11-16(14)24-22(28)20(19)26-21/h1-11H,(H,24,28)(H,25,26)
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PC cid
PC sid
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n/an/a 10n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein...


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50434675
PNG
(CHEMBL2387502)
Show SMILES [O-][N+](=O)c1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
Show InChI InChI=1S/C22H13ClN4O3/c23-15-7-4-8-17(27(29)30)18(15)21-25-19-14-10-9-13(12-5-2-1-3-6-12)11-16(14)24-22(28)20(19)26-21/h1-11H,(H,24,28)(H,25,26)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50434675
PNG
(CHEMBL2387502)
Show SMILES [O-][N+](=O)c1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
Show InChI InChI=1S/C22H13ClN4O3/c23-15-7-4-8-17(27(29)30)18(15)21-25-19-14-10-9-13(12-5-2-1-3-6-12)11-16(14)24-22(28)20(19)26-21/h1-11H,(H,24,28)(H,25,26)
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CHEMBL
PC cid
PC sid
UniChem
Article
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n/an/a>3.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50434675
PNG
(CHEMBL2387502)
Show SMILES [O-][N+](=O)c1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1
Show InChI InChI=1S/C22H13ClN4O3/c23-15-7-4-8-17(27(29)30)18(15)21-25-19-14-10-9-13(12-5-2-1-3-6-12)11-16(14)24-22(28)20(19)26-21/h1-11H,(H,24,28)(H,25,26)
PDB
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PC cid
PC sid
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Article
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n/an/a>3.00E+4n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis


Bioorg Med Chem 21: 2868-78 (2013)


Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J
More data for this
Ligand-Target Pair