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PubMed code 16843659

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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 1A2


(Homo sapiens (Human))
BDBM50191163
PNG
(1-(2-(benzyloxy)-5-bromobenzyl)-5-methyl-1H-pyrazo...)
Show SMILES Cc1cc(nn1Cc1cc(Br)ccc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H17BrN2O3/c1-13-9-17(19(23)24)21-22(13)11-15-10-16(20)7-8-18(15)25-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,24)
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Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP450 1A2


Bioorg Med Chem Lett 16: 4767-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.086
BindingDB Entry DOI: 10.7270/Q2MC8ZN4
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50191163
PNG
(1-(2-(benzyloxy)-5-bromobenzyl)-5-methyl-1H-pyrazo...)
Show SMILES Cc1cc(nn1Cc1cc(Br)ccc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H17BrN2O3/c1-13-9-17(19(23)24)21-22(13)11-15-10-16(20)7-8-18(15)25-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,24)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP450 2C19


Bioorg Med Chem Lett 16: 4767-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.086
BindingDB Entry DOI: 10.7270/Q2MC8ZN4
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50191163
PNG
(1-(2-(benzyloxy)-5-bromobenzyl)-5-methyl-1H-pyrazo...)
Show SMILES Cc1cc(nn1Cc1cc(Br)ccc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H17BrN2O3/c1-13-9-17(19(23)24)21-22(13)11-15-10-16(20)7-8-18(15)25-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,24)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP450 3A4


Bioorg Med Chem Lett 16: 4767-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.086
BindingDB Entry DOI: 10.7270/Q2MC8ZN4
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50191163
PNG
(1-(2-(benzyloxy)-5-bromobenzyl)-5-methyl-1H-pyrazo...)
Show SMILES Cc1cc(nn1Cc1cc(Br)ccc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H17BrN2O3/c1-13-9-17(19(23)24)21-22(13)11-15-10-16(20)7-8-18(15)25-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,24)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP450 2C9


Bioorg Med Chem Lett 16: 4767-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.086
BindingDB Entry DOI: 10.7270/Q2MC8ZN4
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50191163
PNG
(1-(2-(benzyloxy)-5-bromobenzyl)-5-methyl-1H-pyrazo...)
Show SMILES Cc1cc(nn1Cc1cc(Br)ccc1OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H17BrN2O3/c1-13-9-17(19(23)24)21-22(13)11-15-10-16(20)7-8-18(15)25-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP450 2D6


Bioorg Med Chem Lett 16: 4767-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.086
BindingDB Entry DOI: 10.7270/Q2MC8ZN4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%