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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'abbadi' and Initial = 'bl'   
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 3A


(Homo sapiens (Human))
BDBM50234734
PNG
(CHEMBL4094462)
Show SMILES CCCCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1
Show InChI InChI=1S/C24H28N2O3/c1-4-5-6-7-18-8-10-19(11-9-18)26-24(27)16-29-23-14-17(2)25-22-13-12-20(28-3)15-21(22)23/h8-15H,4-7,16H2,1-3H3,(H,26,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pontif£cia Universidade Cat£lica do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate by HPLC-MS/MS method


Eur J Med Chem 126: 491-501 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.048
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50234734
PNG
(CHEMBL4094462)
Show SMILES CCCCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1
Show InChI InChI=1S/C24H28N2O3/c1-4-5-6-7-18-8-10-19(11-9-18)26-24(27)16-29-23-14-17(2)25-22-13-12-20(28-3)15-21(22)23/h8-15H,4-7,16H2,1-3H3,(H,26,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pontif£cia Universidade Cat£lica do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by HPLC-MS/MS method


Eur J Med Chem 126: 491-501 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.048
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50234734
PNG
(CHEMBL4094462)
Show SMILES CCCCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1
Show InChI InChI=1S/C24H28N2O3/c1-4-5-6-7-18-8-10-19(11-9-18)26-24(27)16-29-23-14-17(2)25-22-13-12-20(28-3)15-21(22)23/h8-15H,4-7,16H2,1-3H3,(H,26,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pontif£cia Universidade Cat£lica do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using S-(+)-mephenytoin as substrate by HPLC-MS/MS method


Eur J Med Chem 126: 491-501 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.048
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50234734
PNG
(CHEMBL4094462)
Show SMILES CCCCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1
Show InChI InChI=1S/C24H28N2O3/c1-4-5-6-7-18-8-10-19(11-9-18)26-24(27)16-29-23-14-17(2)25-22-13-12-20(28-3)15-21(22)23/h8-15H,4-7,16H2,1-3H3,(H,26,27)
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PC cid
PC sid
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pontif£cia Universidade Cat£lica do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by HPLC-MS/MS method


Eur J Med Chem 126: 491-501 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.048
More data for this
Ligand-Target Pair
Cytochrome P450 2E1


(Homo sapiens (Human))
BDBM50234734
PNG
(CHEMBL4094462)
Show SMILES CCCCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1
Show InChI InChI=1S/C24H28N2O3/c1-4-5-6-7-18-8-10-19(11-9-18)26-24(27)16-29-23-14-17(2)25-22-13-12-20(28-3)15-21(22)23/h8-15H,4-7,16H2,1-3H3,(H,26,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pontif£cia Universidade Cat£lica do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate by HPLC-MS/MS method


Eur J Med Chem 126: 491-501 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.048
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50234734
PNG
(CHEMBL4094462)
Show SMILES CCCCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1
Show InChI InChI=1S/C24H28N2O3/c1-4-5-6-7-18-8-10-19(11-9-18)26-24(27)16-29-23-14-17(2)25-22-13-12-20(28-3)15-21(22)23/h8-15H,4-7,16H2,1-3H3,(H,26,27)
PDB
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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pontif£cia Universidade Cat£lica do Rio Grande do Sul

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by HPLC-MS/MS method


Eur J Med Chem 126: 491-501 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.048
More data for this
Ligand-Target Pair