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Compile Data Set for Download or QSAR

Found 8 hits from Elara Pharmaceuticals GmbH   
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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50418549
PNG
(CHEMBL1319809)
Show SMILES COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
Show InChI InChI=1S/C17H18N2O5S/c1-11-4-5-13(17(21)24-3)10-16(11)19-25(22,23)15-8-6-14(7-9-15)18-12(2)20/h4-10,19H,1-3H3,(H,18,20)
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n/an/an/an/a 251n/an/an/an/a



Elara Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 after 30 mins by luminescence assay


J Med Chem 54: 3982-6 (2011)


Article DOI: 10.1021/jm200272h
BindingDB Entry DOI: 10.7270/Q22808VH
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50418550
PNG
(CHEMBL1784698)
Show SMILES COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C16H17NO6S/c1-21-12-5-7-13(8-6-12)24(19,20)17-14-10-11(16(18)23-3)4-9-15(14)22-2/h4-10,17H,1-3H3
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n/an/an/an/a 3.98E+4n/an/an/an/a



Elara Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 after 30 mins by luminescence assay


J Med Chem 54: 3982-6 (2011)


Article DOI: 10.1021/jm200272h
BindingDB Entry DOI: 10.7270/Q22808VH
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50418551
PNG
(CHEMBL1784699)
Show SMILES COC(=O)c1ccc(C)c(c1)N(C)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H19NO4S/c1-12-5-9-15(10-6-12)23(20,21)18(3)16-11-14(17(19)22-4)8-7-13(16)2/h5-11H,1-4H3
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n/an/an/an/a 1.58E+4n/an/an/an/a



Elara Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 after 30 mins by luminescence assay


J Med Chem 54: 3982-6 (2011)


Article DOI: 10.1021/jm200272h
BindingDB Entry DOI: 10.7270/Q22808VH
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50418556
PNG
(CHEMBL1450745)
Show SMILES COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C17H19NO6S/c1-11-5-6-12(17(19)24-4)9-14(11)18-25(20,21)13-7-8-15(22-2)16(10-13)23-3/h5-10,18H,1-4H3
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n/an/an/an/a 2.51E+3n/an/an/an/a



Elara Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 after 30 mins by luminescence assay


J Med Chem 54: 3982-6 (2011)


Article DOI: 10.1021/jm200272h
BindingDB Entry DOI: 10.7270/Q22808VH
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50418553
PNG
(CHEMBL1784701)
Show SMILES COC(=O)c1ccc2OCCN(c2c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H17NO5S/c1-12-3-6-14(7-4-12)24(20,21)18-9-10-23-16-8-5-13(11-15(16)18)17(19)22-2/h3-8,11H,9-10H2,1-2H3
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n/an/an/an/a 3.98E+3n/an/an/an/a



Elara Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 after 30 mins by luminescence assay


J Med Chem 54: 3982-6 (2011)


Article DOI: 10.1021/jm200272h
BindingDB Entry DOI: 10.7270/Q22808VH
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50418554
PNG
(CHEMBL1784702)
Show SMILES COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1
Show InChI InChI=1S/C16H17NO4S/c1-11-4-8-14(9-5-11)22(19,20)17-15-10-13(16(18)21-3)7-6-12(15)2/h4-10,17H,1-3H3
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n/an/an/an/a 1.58E+3n/an/an/an/a



Elara Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 after 30 mins by luminescence assay


J Med Chem 54: 3982-6 (2011)


Article DOI: 10.1021/jm200272h
BindingDB Entry DOI: 10.7270/Q22808VH
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50418555
PNG
(CHEMBL1386228)
Show SMILES COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C16H17NO5S/c1-11-4-5-12(16(18)22-3)10-15(11)17-23(19,20)14-8-6-13(21-2)7-9-14/h4-10,17H,1-3H3
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PubMed
n/an/an/an/a 3.98E+3n/an/an/an/a



Elara Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 after 30 mins by luminescence assay


J Med Chem 54: 3982-6 (2011)


Article DOI: 10.1021/jm200272h
BindingDB Entry DOI: 10.7270/Q22808VH
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50418552
PNG
(CHEMBL1784700)
Show SMILES COC(=O)c1ccc(C)c(c1)N(C)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C17H19NO5S/c1-12-5-6-13(17(19)23-4)11-16(12)18(2)24(20,21)15-9-7-14(22-3)8-10-15/h5-11H,1-4H3
PDB
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PubMed
n/an/an/an/a 2.51E+4n/an/an/an/a



Elara Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 after 30 mins by luminescence assay


J Med Chem 54: 3982-6 (2011)


Article DOI: 10.1021/jm200272h
BindingDB Entry DOI: 10.7270/Q22808VH
More data for this
Ligand-Target Pair