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PubMed code 16134929

Compile data set for download or QSAR
Found 22 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 1A


(Homo sapiens (Human))
BDBM50201124
PNG
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)
Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1
Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)
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n/an/a<18n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Concentration required to inhibit Cytochrome P450 1A2 in vitro by 50%


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50201124
PNG
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)
Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1
Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)
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n/an/a<18n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BzRes in vitro by 50%


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50201124
PNG
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)
Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1
Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)
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n/an/a<18n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BFC in vitro by 50%


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50201124
PNG
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)
Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1
Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)
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n/an/a<18n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Concentration required to inhibit Cytochrome P450 2C9 in vitro by 50%


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50201124
PNG
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)
Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1
Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Concentration required to inhibit cytochrome P450 isozyme CYP2C19 in vitro by 50%


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 73n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against IR kinase with ATP concentration at 1/2Km


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against IGF-1R kinase


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against IGF-1R Sal kinase with ATP concentration at 1/2Km


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against FAK with ATP concentration at 1/2Km


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50201124
PNG
(3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidaz...)
Show SMILES Cc1cc(cc2nc([nH]c12)-c1c(NCC(O)c2cccc(Cl)c2)cc[nH]c1=O)-n1ccnc1
Show InChI InChI=1S/C24H21ClN6O2/c1-14-9-17(31-8-7-26-13-31)11-19-22(14)30-23(29-19)21-18(5-6-27-24(21)33)28-12-20(32)15-3-2-4-16(25)10-15/h2-11,13,20,32H,12H2,1H3,(H,29,30)(H2,27,28,33)
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n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against IGF-1R kinase


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 182n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against MEK with ATP concentration at 1/2Km


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 341n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against LCK with ATP concentration at 1/2Km


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BFC in vitro by 50%


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Concentration required to inhibit cytochrome P450 isozyme CYP2C9 in vitro by 50%


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against VEGFR2 with ATP concentration at 1/2Km


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration EGF receptor with ATP concentration at 1/2Km


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Concentration required to inhibit cytochrome P450 isozyme CYP2C19 in vitro by 50%


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 4.87E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Met with ATP concentration at 1/2Km


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Concentration required to inhibit cytochrome P450 isozyme CYP3A4-BzRes in vitro by 50%


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 1.71E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HER2 with ATP concentration at 1/2Km


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Concentration required to inhibit cytochrome P450 isozyme CYP1A2 in vitro by 50%


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM27879
PNG
(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-...)
Show SMILES Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 |r|
Show InChI InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co

Curated by ChEMBL


Assay Description
Concentration required to inhibit cytochrome P450 isozyme CYP2D6 in vitro by 50%; b = not determined


J Med Chem 48: 5639-43 (2005)


Article DOI: 10.1021/jm050392q
BindingDB Entry DOI: 10.7270/Q2MW2GPP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%