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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'glowienke' and Initial = 's'   
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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50337587
PNG
(2-(2,6-dimethylphenyl)-N-(quinolin-2-yl)-1H-benzo[...)
Show SMILES Cc1cccc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1
Show InChI InChI=1S/C25H20N4O/c1-15-6-5-7-16(2)23(15)24-27-20-12-10-18(14-21(20)28-24)25(30)29-22-13-11-17-8-3-4-9-19(17)26-22/h3-14H,1-2H3,(H,27,28)(H,26,29,30)
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PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Global Discovery Chemistry

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsome measured after 30 mins preincubation in presence of NADPH


Bioorg Med Chem Lett 21: 1422-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.023
BindingDB Entry DOI: 10.7270/Q2B27VK1
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50337587
PNG
(2-(2,6-dimethylphenyl)-N-(quinolin-2-yl)-1H-benzo[...)
Show SMILES Cc1cccc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1
Show InChI InChI=1S/C25H20N4O/c1-15-6-5-7-16(2)23(15)24-27-20-12-10-18(14-21(20)28-24)25(30)29-22-13-11-17-8-3-4-9-19(17)26-22/h3-14H,1-2H3,(H,27,28)(H,26,29,30)
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Article
PubMed
n/an/a 7.30E+3n/an/an/an/an/an/a



Global Discovery Chemistry

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 1422-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.023
BindingDB Entry DOI: 10.7270/Q2B27VK1
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50337588
PNG
(CHEMBL1683000 | N-(quinolin-2-yl)-2-ortho-tolyl-1H...)
Show SMILES Cc1ccccc1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1
Show InChI InChI=1S/C24H18N4O/c1-15-6-2-4-8-18(15)23-26-20-12-10-17(14-21(20)27-23)24(29)28-22-13-11-16-7-3-5-9-19(16)25-22/h2-14H,1H3,(H,26,27)(H,25,28,29)
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Global Discovery Chemistry

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsome measured after 30 mins preincubation in presence of NADPH


Bioorg Med Chem Lett 21: 1422-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.023
BindingDB Entry DOI: 10.7270/Q2B27VK1
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50337588
PNG
(CHEMBL1683000 | N-(quinolin-2-yl)-2-ortho-tolyl-1H...)
Show SMILES Cc1ccccc1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1
Show InChI InChI=1S/C24H18N4O/c1-15-6-2-4-8-18(15)23-26-20-12-10-17(14-21(20)27-23)24(29)28-22-13-11-16-7-3-5-9-19(16)25-22/h2-14H,1H3,(H,26,27)(H,25,28,29)
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Global Discovery Chemistry

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 1422-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.023
BindingDB Entry DOI: 10.7270/Q2B27VK1
More data for this
Ligand-Target Pair