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PubMed code 18805008

Compile data set for download or QSAR
Found 133 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
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263360
PNG
(CHEMBL476555 | N-(2-(7-chloro-1-methyl-2-oxo-5-phe...)
Show SMILES COc1ccc(CCC(=O)NCC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3C2c2ccccc2)cc1
Show InChI InChI=1S/C28H28ClN3O4/c1-31-24-14-11-21(29)16-23(24)28(20-6-4-3-5-7-20)32(18-27(31)35)26(34)17-30-25(33)15-10-19-8-12-22(36-2)13-9-19/h3-9,11-14,16,28H,10,15,17-18H2,1-2H3,(H,30,33)
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n/an/a 154n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 1


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263399
PNG
(CHEMBL475927 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(cc1)C#N)c1ccccc1
Show InChI InChI=1S/C23H18ClN3O2/c24-20-12-10-18(11-13-20)22(17-4-2-1-3-5-17)27-21(28)15-26-23(29)19-8-6-16(14-25)7-9-19/h1-13,22H,15H2,(H,26,29)(H,27,28)
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n/an/a 4.90E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263399
PNG
(CHEMBL475927 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(cc1)C#N)c1ccccc1
Show InChI InChI=1S/C23H18ClN3O2/c24-20-12-10-18(11-13-20)22(17-4-2-1-3-5-17)27-21(28)15-26-23(29)19-8-6-16(14-25)7-9-19/h1-13,22H,15H2,(H,26,29)(H,27,28)
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n/an/a 1.47E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263396
PNG
(CHEMBL476763 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O2/c23-19-13-11-17(12-14-19)21(16-7-3-1-4-8-16)25-20(26)15-24-22(27)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,24,27)(H,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263629
PNG
(CHEMBL514209 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)C1CCCC1)c1ccccc1
Show InChI InChI=1S/C21H23ClN2O2/c22-18-12-10-16(11-13-18)20(15-6-2-1-3-7-15)24-19(25)14-23-21(26)17-8-4-5-9-17/h1-3,6-7,10-13,17,20H,4-5,8-9,14H2,(H,23,26)(H,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263678
PNG
(CHEMBL518287 | N-(2-((3-chlorophenyl)(phenyl)methy...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H18ClFN2O2/c23-18-8-4-7-17(13-18)21(15-5-2-1-3-6-15)26-20(27)14-25-22(28)16-9-11-19(24)12-10-16/h1-13,21H,14H2,(H,25,28)(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263679
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(thiazol-2-yl)methylami...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1nccs1)c1ccccc1
Show InChI InChI=1S/C19H16FN3O2S/c20-15-8-6-14(7-9-15)18(25)22-12-16(24)23-17(19-21-10-11-26-19)13-4-2-1-3-5-13/h1-11,17H,12H2,(H,22,25)(H,23,24)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263680
PNG
(CHEMBL478035 | N-(2-((2-chloro-9H-thioxanthen-9-yl...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C23H18ClFN2O2S/c24-15-7-10-21-18(11-15)19(17-3-1-2-4-20(17)30-21)12-26-22(28)13-27-23(29)14-5-8-16(25)9-6-14/h1-11,19H,12-13H2,(H,26,28)(H,27,29)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263677
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(p-tolyl)methylamino)et...)
Show SMILES Cc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-7-9-18(10-8-16)22(17-5-3-2-4-6-17)26-21(27)15-25-23(28)19-11-13-20(24)14-12-19/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263403
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(pyridazin-3-yl)methyla...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccnn1
Show InChI InChI=1S/C20H17FN4O2/c21-16-10-8-15(9-11-16)20(27)22-13-18(26)24-19(14-5-2-1-3-6-14)17-7-4-12-23-25-17/h1-12,19H,13H2,(H,22,27)(H,24,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263630
PNG
(CHEMBL476567 | N-({[(4-Chloro-phenyl)-phenyl-methy...)
Show SMILES CC(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClN2O2/c1-12(21)19-11-16(22)20-17(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14/h2-10,17H,11H2,1H3,(H,19,21)(H,20,22)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263678
PNG
(CHEMBL518287 | N-(2-((3-chlorophenyl)(phenyl)methy...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H18ClFN2O2/c23-18-8-4-7-17(13-18)21(15-5-2-1-3-6-15)26-20(27)14-25-22(28)16-9-11-19(24)12-10-16/h1-13,21H,14H2,(H,25,28)(H,26,27)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263364
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(3-(trifluoromethyl)phe...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H18F4N2O2/c24-19-11-9-16(10-12-19)22(31)28-14-20(30)29-21(15-5-2-1-3-6-15)17-7-4-8-18(13-17)23(25,26)27/h1-13,21H,14H2,(H,28,31)(H,29,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263402
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(pyridin-4-yl)methylami...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H18FN3O2/c22-18-8-6-17(7-9-18)21(27)24-14-19(26)25-20(15-4-2-1-3-5-15)16-10-12-23-13-11-16/h1-13,20H,14H2,(H,24,27)(H,25,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263675
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(o-tolyl)methylamino)et...)
Show SMILES Cc1ccccc1C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-7-5-6-10-20(16)22(17-8-3-2-4-9-17)26-21(27)15-25-23(28)18-11-13-19(24)14-12-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263365
PNG
(4-fluoro-N-(2-((4-methoxyphenyl)(phenyl)methylamin...)
Show SMILES COc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O3/c1-29-20-13-9-17(10-14-20)22(16-5-3-2-4-6-16)26-21(27)15-25-23(28)18-7-11-19(24)12-8-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263681
PNG
(CHEMBL478036 | N-{[(10,11-Dihydro-5H-dibenzo[a,d]c...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C25H23FN2O2/c26-20-13-11-19(12-14-20)25(30)28-16-24(29)27-15-23-21-7-3-1-5-17(21)9-10-18-6-2-4-8-22(18)23/h1-8,11-14,23H,9-10,15-16H2,(H,27,29)(H,28,30)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263676
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(m-tolyl)methylamino)et...)
Show SMILES Cc1cccc(c1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-6-5-9-19(14-16)22(17-7-3-2-4-8-17)26-21(27)15-25-23(28)18-10-12-20(24)13-11-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263363
PNG
(CHEMBL476557 | N-(2-(bis(3-fluorophenyl)methylamin...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C22H17F3N2O2/c23-17-9-7-14(8-10-17)22(29)26-13-20(28)27-21(15-3-1-5-18(24)11-15)16-4-2-6-19(25)12-16/h1-12,21H,13H2,(H,26,29)(H,27,28)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263398
PNG
(CHEMBL475926 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18ClFN2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263677
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(p-tolyl)methylamino)et...)
Show SMILES Cc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-7-9-18(10-8-16)22(17-5-3-2-4-6-17)26-21(27)15-25-23(28)19-11-13-20(24)14-12-19/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263365
PNG
(4-fluoro-N-(2-((4-methoxyphenyl)(phenyl)methylamin...)
Show SMILES COc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O3/c1-29-20-13-9-17(10-14-20)22(16-5-3-2-4-6-16)26-21(27)15-25-23(28)18-7-11-19(24)12-8-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263679
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(thiazol-2-yl)methylami...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1nccs1)c1ccccc1
Show InChI InChI=1S/C19H16FN3O2S/c20-15-8-6-14(7-9-15)18(25)22-12-16(24)23-17(19-21-10-11-26-19)13-4-2-1-3-5-13/h1-11,17H,12H2,(H,22,25)(H,23,24)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263627
PNG
(CHEMBL452423 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)20(15-4-2-1-3-5-15)25-19(26)14-24-21(27)17-10-12-23-13-11-17/h1-13,20H,14H2,(H,24,27)(H,25,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263676
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(m-tolyl)methylamino)et...)
Show SMILES Cc1cccc(c1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-6-5-9-19(14-16)22(17-7-3-2-4-8-17)26-21(27)15-25-23(28)18-10-12-20(24)13-11-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263403
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(pyridazin-3-yl)methyla...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccnn1
Show InChI InChI=1S/C20H17FN4O2/c21-16-10-8-15(9-11-16)20(27)22-13-18(26)24-19(14-5-2-1-3-6-14)17-7-4-12-23-25-17/h1-12,19H,13H2,(H,22,27)(H,24,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263395
PNG
(CHEMBL476762 | N-({[(4-Chloro-phenyl)-phenyl-methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21ClN2O2/c24-20-13-11-19(12-14-20)23(18-9-5-2-6-10-18)26-22(28)16-25-21(27)15-17-7-3-1-4-8-17/h1-14,23H,15-16H2,(H,25,27)(H,26,28)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263627
PNG
(CHEMBL452423 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)20(15-4-2-1-3-5-15)25-19(26)14-24-21(27)17-10-12-23-13-11-17/h1-13,20H,14H2,(H,24,27)(H,25,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263364
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(3-(trifluoromethyl)phe...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H18F4N2O2/c24-19-11-9-16(10-12-19)22(31)28-14-20(30)29-21(15-5-2-1-3-6-15)17-7-4-8-18(13-17)23(25,26)27/h1-13,21H,14H2,(H,28,31)(H,29,30)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263398
PNG
(CHEMBL475926 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18ClFN2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263396
PNG
(CHEMBL476763 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O2/c23-19-13-11-17(12-14-19)21(16-7-3-1-4-8-16)25-20(26)15-24-22(27)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,24,27)(H,25,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263399
PNG
(CHEMBL475927 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(cc1)C#N)c1ccccc1
Show InChI InChI=1S/C23H18ClN3O2/c24-20-12-10-18(11-13-20)22(17-4-2-1-3-5-17)27-21(28)15-26-23(29)19-8-6-16(14-25)7-9-19/h1-13,22H,15H2,(H,26,29)(H,27,28)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263675
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(o-tolyl)methylamino)et...)
Show SMILES Cc1ccccc1C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-7-5-6-10-20(16)22(17-8-3-2-4-9-17)26-21(27)15-25-23(28)18-11-13-19(24)14-12-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263400
PNG
(CHEMBL514198 | N-(2-(bis(4-methoxyphenyl)methylami...)
Show SMILES COc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C24H23FN2O4/c1-30-20-11-5-16(6-12-20)23(17-7-13-21(31-2)14-8-17)27-22(28)15-26-24(29)18-3-9-19(25)10-4-18/h3-14,23H,15H2,1-2H3,(H,26,29)(H,27,28)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263401
PNG
(4-fluoro-N-(2-oxo-2-(1-phenylpropylamino)ethyl)ben...)
Show SMILES CCC(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C18H19FN2O2/c1-2-16(13-6-4-3-5-7-13)21-17(22)12-20-18(23)14-8-10-15(19)11-9-14/h3-11,16H,2,12H2,1H3,(H,20,23)(H,21,22)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263404
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(pyrimidin-2-yl)methyla...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ncccn1
Show InChI InChI=1S/C20H17FN4O2/c21-16-9-7-15(8-10-16)20(27)24-13-17(26)25-18(14-5-2-1-3-6-14)19-22-11-4-12-23-19/h1-12,18H,13H2,(H,24,27)(H,25,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263364
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(3-(trifluoromethyl)phe...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H18F4N2O2/c24-19-11-9-16(10-12-19)22(31)28-14-20(30)29-21(15-5-2-1-3-6-15)17-7-4-8-18(13-17)23(25,26)27/h1-13,21H,14H2,(H,28,31)(H,29,30)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263401
PNG
(4-fluoro-N-(2-oxo-2-(1-phenylpropylamino)ethyl)ben...)
Show SMILES CCC(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C18H19FN2O2/c1-2-16(13-6-4-3-5-7-13)21-17(22)12-20-18(23)14-8-10-15(19)11-9-14/h3-11,16H,2,12H2,1H3,(H,20,23)(H,21,22)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263398
PNG
(CHEMBL475926 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18ClFN2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263398
PNG
(CHEMBL475926 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18ClFN2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263682
PNG
(4-Fluoro-N-{[(2-fluoro-6,11-dihydro-dibenzo[b,e]ox...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2COc2ccc(F)cc12
Show InChI InChI=1S/C24H20F2N2O3/c25-17-7-5-15(6-8-17)24(30)28-13-23(29)27-12-21-19-4-2-1-3-16(19)14-31-22-10-9-18(26)11-20(21)22/h1-11,21H,12-14H2,(H,27,29)(H,28,30)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263397
PNG
((+)-4-chloro-N-(2-((4-chlorophenyl)(phenyl)methyla...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H18Cl2N2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263400
PNG
(CHEMBL514198 | N-(2-(bis(4-methoxyphenyl)methylami...)
Show SMILES COc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C24H23FN2O4/c1-30-20-11-5-16(6-12-20)23(17-7-13-21(31-2)14-8-17)27-22(28)15-26-24(29)18-3-9-19(25)10-4-18/h3-14,23H,15H2,1-2H3,(H,26,29)(H,27,28)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263402
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(pyridin-4-yl)methylami...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H18FN3O2/c22-18-8-6-17(7-9-18)21(27)24-14-19(26)25-20(15-4-2-1-3-5-15)16-10-12-23-13-11-16/h1-13,20H,14H2,(H,24,27)(H,25,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263404
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(pyrimidin-2-yl)methyla...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ncccn1
Show InChI InChI=1S/C20H17FN4O2/c21-16-9-7-15(8-10-16)20(27)24-13-17(26)25-18(14-5-2-1-3-6-14)19-22-11-4-12-23-19/h1-12,18H,13H2,(H,24,27)(H,25,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263361
PNG
(CHEMBL514681 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H23ClN2O2/c25-21-14-12-20(13-15-21)24(19-9-5-2-6-10-19)27-23(29)17-26-22(28)16-11-18-7-3-1-4-8-18/h1-10,12-15,24H,11,16-17H2,(H,26,28)(H,27,29)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263631
PNG
(CHEMBL476568 | N-(2-(benzhydrylamino)-2-oxoethyl)-...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19FN2O2/c23-19-13-11-18(12-14-19)22(27)24-15-20(26)25-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,24,27)(H,25,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263400
PNG
(CHEMBL514198 | N-(2-(bis(4-methoxyphenyl)methylami...)
Show SMILES COc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C24H23FN2O4/c1-30-20-11-5-16(6-12-20)23(17-7-13-21(31-2)14-8-17)27-22(28)15-26-24(29)18-3-9-19(25)10-4-18/h3-14,23H,15H2,1-2H3,(H,26,29)(H,27,28)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263404
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(pyrimidin-2-yl)methyla...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ncccn1
Show InChI InChI=1S/C20H17FN4O2/c21-16-9-7-15(8-10-16)20(27)24-13-17(26)25-18(14-5-2-1-3-6-14)19-22-11-4-12-23-19/h1-12,18H,13H2,(H,24,27)(H,25,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263680
PNG
(CHEMBL478035 | N-(2-((2-chloro-9H-thioxanthen-9-yl...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C23H18ClFN2O2S/c24-15-7-10-21-18(11-15)19(17-3-1-2-4-20(17)30-21)12-26-22(28)13-27-23(29)14-5-8-16(25)9-6-14/h1-11,19H,12-13H2,(H,26,28)(H,27,29)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263361
PNG
(CHEMBL514681 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H23ClN2O2/c25-21-14-12-20(13-15-21)24(19-9-5-2-6-10-19)27-23(29)17-26-22(28)16-11-18-7-3-1-4-8-18/h1-10,12-15,24H,11,16-17H2,(H,26,28)(H,27,29)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263627
PNG
(CHEMBL452423 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)20(15-4-2-1-3-5-15)25-19(26)14-24-21(27)17-10-12-23-13-11-17/h1-13,20H,14H2,(H,24,27)(H,25,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263628
PNG
(CHEMBL476360 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccsc1)c1ccccc1
Show InChI InChI=1S/C20H17ClN2O2S/c21-17-8-6-15(7-9-17)19(14-4-2-1-3-5-14)23-18(24)12-22-20(25)16-10-11-26-13-16/h1-11,13,19H,12H2,(H,22,25)(H,23,24)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263726
PNG
(4-Fluoro-N-{[(5-methyl-6-oxo-6,11-dihydro-5H-diben...)
Show SMILES CN1c2ccccc2C(CNC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc2C1=O
Show InChI InChI=1S/C25H22FN3O3/c1-29-22-9-5-4-7-19(22)21(18-6-2-3-8-20(18)25(29)32)14-27-23(30)15-28-24(31)16-10-12-17(26)13-11-16/h2-13,21H,14-15H2,1H3,(H,27,30)(H,28,31)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263395
PNG
(CHEMBL476762 | N-({[(4-Chloro-phenyl)-phenyl-methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21ClN2O2/c24-20-13-11-19(12-14-20)23(18-9-5-2-6-10-18)26-22(28)16-25-21(27)15-17-7-3-1-4-8-17/h1-14,23H,15-16H2,(H,25,27)(H,26,28)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263630
PNG
(CHEMBL476567 | N-({[(4-Chloro-phenyl)-phenyl-methy...)
Show SMILES CC(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClN2O2/c1-12(21)19-11-16(22)20-17(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14/h2-10,17H,11H2,1H3,(H,19,21)(H,20,22)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263631
PNG
(CHEMBL476568 | N-(2-(benzhydrylamino)-2-oxoethyl)-...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19FN2O2/c23-19-13-11-18(12-14-19)22(27)24-15-20(26)25-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,24,27)(H,25,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263363
PNG
(CHEMBL476557 | N-(2-(bis(3-fluorophenyl)methylamin...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C22H17F3N2O2/c23-17-9-7-14(8-10-17)22(29)26-13-20(28)27-21(15-3-1-5-18(24)11-15)16-4-2-6-19(25)12-16/h1-12,21H,13H2,(H,26,29)(H,27,28)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263629
PNG
(CHEMBL514209 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)C1CCCC1)c1ccccc1
Show InChI InChI=1S/C21H23ClN2O2/c22-18-12-10-16(11-13-18)20(15-6-2-1-3-7-15)24-19(25)14-23-21(26)17-8-4-5-9-17/h1-3,6-7,10-13,17,20H,4-5,8-9,14H2,(H,23,26)(H,24,25)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263398
PNG
(CHEMBL475926 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18ClFN2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263402
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(pyridin-4-yl)methylami...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H18FN3O2/c22-18-8-6-17(7-9-18)21(27)24-14-19(26)25-20(15-4-2-1-3-5-15)16-10-12-23-13-11-16/h1-13,20H,14H2,(H,24,27)(H,25,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263681
PNG
(CHEMBL478036 | N-{[(10,11-Dihydro-5H-dibenzo[a,d]c...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C25H23FN2O2/c26-20-13-11-19(12-14-20)25(30)28-16-24(29)27-15-23-21-7-3-1-5-17(21)9-10-18-6-2-4-8-22(18)23/h1-8,11-14,23H,9-10,15-16H2,(H,27,29)(H,28,30)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263395
PNG
(CHEMBL476762 | N-({[(4-Chloro-phenyl)-phenyl-methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21ClN2O2/c24-20-13-11-19(12-14-20)23(18-9-5-2-6-10-18)26-22(28)16-25-21(27)15-17-7-3-1-4-8-17/h1-14,23H,15-16H2,(H,25,27)(H,26,28)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263629
PNG
(CHEMBL514209 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)C1CCCC1)c1ccccc1
Show InChI InChI=1S/C21H23ClN2O2/c22-18-12-10-16(11-13-18)20(15-6-2-1-3-7-15)24-19(25)14-23-21(26)17-8-4-5-9-17/h1-3,6-7,10-13,17,20H,4-5,8-9,14H2,(H,23,26)(H,24,25)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263631
PNG
(CHEMBL476568 | N-(2-(benzhydrylamino)-2-oxoethyl)-...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19FN2O2/c23-19-13-11-18(12-14-19)22(27)24-15-20(26)25-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,24,27)(H,25,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263676
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(m-tolyl)methylamino)et...)
Show SMILES Cc1cccc(c1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-6-5-9-19(14-16)22(17-7-3-2-4-8-17)26-21(27)15-25-23(28)18-10-12-20(24)13-11-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263363
PNG
(CHEMBL476557 | N-(2-(bis(3-fluorophenyl)methylamin...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C22H17F3N2O2/c23-17-9-7-14(8-10-17)22(29)26-13-20(28)27-21(15-3-1-5-18(24)11-15)16-4-2-6-19(25)12-16/h1-12,21H,13H2,(H,26,29)(H,27,28)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263403
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(pyridazin-3-yl)methyla...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccnn1
Show InChI InChI=1S/C20H17FN4O2/c21-16-10-8-15(9-11-16)20(27)22-13-18(26)24-19(14-5-2-1-3-6-14)17-7-4-12-23-25-17/h1-12,19H,13H2,(H,22,27)(H,24,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263680
PNG
(CHEMBL478035 | N-(2-((2-chloro-9H-thioxanthen-9-yl...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C23H18ClFN2O2S/c24-15-7-10-21-18(11-15)19(17-3-1-2-4-20(17)30-21)12-26-22(28)13-27-23(29)14-5-8-16(25)9-6-14/h1-11,19H,12-13H2,(H,26,28)(H,27,29)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263681
PNG
(CHEMBL478036 | N-{[(10,11-Dihydro-5H-dibenzo[a,d]c...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C25H23FN2O2/c26-20-13-11-19(12-14-20)25(30)28-16-24(29)27-15-23-21-7-3-1-5-17(21)9-10-18-6-2-4-8-22(18)23/h1-8,11-14,23H,9-10,15-16H2,(H,27,29)(H,28,30)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263398
PNG
(CHEMBL475926 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18ClFN2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263628
PNG
(CHEMBL476360 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccsc1)c1ccccc1
Show InChI InChI=1S/C20H17ClN2O2S/c21-17-8-6-15(7-9-17)19(14-4-2-1-3-5-14)23-18(24)12-22-20(25)16-10-11-26-13-16/h1-11,13,19H,12H2,(H,22,25)(H,23,24)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263677
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(p-tolyl)methylamino)et...)
Show SMILES Cc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-7-9-18(10-8-16)22(17-5-3-2-4-6-17)26-21(27)15-25-23(28)19-11-13-20(24)14-12-19/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263401
PNG
(4-fluoro-N-(2-oxo-2-(1-phenylpropylamino)ethyl)ben...)
Show SMILES CCC(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C18H19FN2O2/c1-2-16(13-6-4-3-5-7-13)21-17(22)12-20-18(23)14-8-10-15(19)11-9-14/h3-11,16H,2,12H2,1H3,(H,20,23)(H,21,22)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263682
PNG
(4-Fluoro-N-{[(2-fluoro-6,11-dihydro-dibenzo[b,e]ox...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2COc2ccc(F)cc12
Show InChI InChI=1S/C24H20F2N2O3/c25-17-7-5-15(6-8-17)24(30)28-13-23(29)27-12-21-19-4-2-1-3-16(19)14-31-22-10-9-18(26)11-20(21)22/h1-11,21H,12-14H2,(H,27,29)(H,28,30)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263726
PNG
(4-Fluoro-N-{[(5-methyl-6-oxo-6,11-dihydro-5H-diben...)
Show SMILES CN1c2ccccc2C(CNC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc2C1=O
Show InChI InChI=1S/C25H22FN3O3/c1-29-22-9-5-4-7-19(22)21(18-6-2-3-8-20(18)25(29)32)14-27-23(30)15-28-24(31)16-10-12-17(26)13-11-16/h2-13,21H,14-15H2,1H3,(H,27,30)(H,28,31)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263396
PNG
(CHEMBL476763 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O2/c23-19-13-11-17(12-14-19)21(16-7-3-1-4-8-16)25-20(26)15-24-22(27)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,24,27)(H,25,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263628
PNG
(CHEMBL476360 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccsc1)c1ccccc1
Show InChI InChI=1S/C20H17ClN2O2S/c21-17-8-6-15(7-9-17)19(14-4-2-1-3-5-14)23-18(24)12-22-20(25)16-10-11-26-13-16/h1-11,13,19H,12H2,(H,22,25)(H,23,24)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263630
PNG
(CHEMBL476567 | N-({[(4-Chloro-phenyl)-phenyl-methy...)
Show SMILES CC(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClN2O2/c1-12(21)19-11-16(22)20-17(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14/h2-10,17H,11H2,1H3,(H,19,21)(H,20,22)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263675
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(o-tolyl)methylamino)et...)
Show SMILES Cc1ccccc1C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-7-5-6-10-20(16)22(17-8-3-2-4-9-17)26-21(27)15-25-23(28)18-11-13-19(24)14-12-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263679
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(thiazol-2-yl)methylami...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1nccs1)c1ccccc1
Show InChI InChI=1S/C19H16FN3O2S/c20-15-8-6-14(7-9-15)18(25)22-12-16(24)23-17(19-21-10-11-26-19)13-4-2-1-3-5-13/h1-11,17H,12H2,(H,22,25)(H,23,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263682
PNG
(4-Fluoro-N-{[(2-fluoro-6,11-dihydro-dibenzo[b,e]ox...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2COc2ccc(F)cc12
Show InChI InChI=1S/C24H20F2N2O3/c25-17-7-5-15(6-8-17)24(30)28-13-23(29)27-12-21-19-4-2-1-3-16(19)14-31-22-10-9-18(26)11-20(21)22/h1-11,21H,12-14H2,(H,27,29)(H,28,30)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263397
PNG
((+)-4-chloro-N-(2-((4-chlorophenyl)(phenyl)methyla...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H18Cl2N2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263397
PNG
((+)-4-chloro-N-(2-((4-chlorophenyl)(phenyl)methyla...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H18Cl2N2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263397
PNG
((+)-4-chloro-N-(2-((4-chlorophenyl)(phenyl)methyla...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H18Cl2N2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263397
PNG
((+)-4-chloro-N-(2-((4-chlorophenyl)(phenyl)methyla...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H18Cl2N2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50263397
PNG
((+)-4-chloro-N-(2-((4-chlorophenyl)(phenyl)methyla...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H18Cl2N2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50263361
PNG
(CHEMBL514681 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H23ClN2O2/c25-21-14-12-20(13-15-21)24(19-9-5-2-6-10-19)27-23(29)17-26-22(28)16-11-18-7-3-1-4-8-18/h1-10,12-15,24H,11,16-17H2,(H,26,28)(H,27,29)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263678
PNG
(CHEMBL518287 | N-(2-((3-chlorophenyl)(phenyl)methy...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H18ClFN2O2/c23-18-8-4-7-17(13-18)21(15-5-2-1-3-6-15)26-20(27)14-25-22(28)16-9-11-19(24)12-10-16/h1-13,21H,14H2,(H,25,28)(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263365
PNG
(4-fluoro-N-(2-((4-methoxyphenyl)(phenyl)methylamin...)
Show SMILES COc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O3/c1-29-20-13-9-17(10-14-20)22(16-5-3-2-4-6-16)26-21(27)15-25-23(28)18-7-11-19(24)12-8-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50263726
PNG
(4-Fluoro-N-{[(5-methyl-6-oxo-6,11-dihydro-5H-diben...)
Show SMILES CN1c2ccccc2C(CNC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc2C1=O
Show InChI InChI=1S/C25H22FN3O3/c1-29-22-9-5-4-7-19(22)21(18-6-2-3-8-20(18)25(29)32)14-27-23(30)15-28-24(31)16-10-12-17(26)13-11-16/h2-13,21H,14-15H2,1H3,(H,27,30)(H,28,31)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263675
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(o-tolyl)methylamino)et...)
Show SMILES Cc1ccccc1C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-7-5-6-10-20(16)22(17-8-3-2-4-9-17)26-21(27)15-25-23(28)18-11-13-19(24)14-12-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263396
PNG
(CHEMBL476763 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O2/c23-19-13-11-17(12-14-19)21(16-7-3-1-4-8-16)25-20(26)15-24-22(27)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,24,27)(H,25,26)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263363
PNG
(CHEMBL476557 | N-(2-(bis(3-fluorophenyl)methylamin...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C22H17F3N2O2/c23-17-9-7-14(8-10-17)22(29)26-13-20(28)27-21(15-3-1-5-18(24)11-15)16-4-2-6-19(25)12-16/h1-12,21H,13H2,(H,26,29)(H,27,28)
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n/an/an/an/a 6.65E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263403
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(pyridazin-3-yl)methyla...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccnn1
Show InChI InChI=1S/C20H17FN4O2/c21-16-10-8-15(9-11-16)20(27)22-13-18(26)24-19(14-5-2-1-3-6-14)17-7-4-12-23-25-17/h1-12,19H,13H2,(H,22,27)(H,24,26)
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n/an/an/an/a 1.27E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263631
PNG
(CHEMBL476568 | N-(2-(benzhydrylamino)-2-oxoethyl)-...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19FN2O2/c23-19-13-11-18(12-14-19)22(27)24-15-20(26)25-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,24,27)(H,25,26)
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n/an/an/an/a 2.70E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263396
PNG
(CHEMBL476763 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19ClN2O2/c23-19-13-11-17(12-14-19)21(16-7-3-1-4-8-16)25-20(26)15-24-22(27)18-9-5-2-6-10-18/h1-14,21H,15H2,(H,24,27)(H,25,26)
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n/an/an/an/a 4.20E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263399
PNG
(CHEMBL475927 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(cc1)C#N)c1ccccc1
Show InChI InChI=1S/C23H18ClN3O2/c24-20-12-10-18(11-13-20)22(17-4-2-1-3-5-17)27-21(28)15-26-23(29)19-8-6-16(14-25)7-9-19/h1-13,22H,15H2,(H,26,29)(H,27,28)
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n/an/an/an/a 1.91E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263676
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(m-tolyl)methylamino)et...)
Show SMILES Cc1cccc(c1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-6-5-9-19(14-16)22(17-7-3-2-4-8-17)26-21(27)15-25-23(28)18-10-12-20(24)13-11-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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n/an/an/an/a 9.57E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263365
PNG
(4-fluoro-N-(2-((4-methoxyphenyl)(phenyl)methylamin...)
Show SMILES COc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O3/c1-29-20-13-9-17(10-14-20)22(16-5-3-2-4-6-16)26-21(27)15-25-23(28)18-7-11-19(24)12-8-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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n/an/an/an/a 1.14E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263682
PNG
(4-Fluoro-N-{[(2-fluoro-6,11-dihydro-dibenzo[b,e]ox...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2COc2ccc(F)cc12
Show InChI InChI=1S/C24H20F2N2O3/c25-17-7-5-15(6-8-17)24(30)28-13-23(29)27-12-21-19-4-2-1-3-16(19)14-31-22-10-9-18(26)11-20(21)22/h1-11,21H,12-14H2,(H,27,29)(H,28,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263628
PNG
(CHEMBL476360 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccsc1)c1ccccc1
Show InChI InChI=1S/C20H17ClN2O2S/c21-17-8-6-15(7-9-17)19(14-4-2-1-3-5-14)23-18(24)12-22-20(25)16-10-11-26-13-16/h1-11,13,19H,12H2,(H,22,25)(H,23,24)
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n/an/an/an/a 89n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263395
PNG
(CHEMBL476762 | N-({[(4-Chloro-phenyl)-phenyl-methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H21ClN2O2/c24-20-13-11-19(12-14-20)23(18-9-5-2-6-10-18)26-22(28)16-25-21(27)15-17-7-3-1-4-8-17/h1-14,23H,15-16H2,(H,25,27)(H,26,28)
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n/an/an/an/a 1.80E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263398
PNG
(CHEMBL475926 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18ClFN2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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n/an/an/an/a 88n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263677
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(p-tolyl)methylamino)et...)
Show SMILES Cc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-7-9-18(10-8-16)22(17-5-3-2-4-6-17)26-21(27)15-25-23(28)19-11-13-20(24)14-12-19/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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n/an/an/an/a 300n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263397
PNG
((+)-4-chloro-N-(2-((4-chlorophenyl)(phenyl)methyla...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H18Cl2N2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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n/an/an/an/a 5.90E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263398
PNG
(CHEMBL475926 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H18ClFN2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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n/an/an/an/a 1.48E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263400
PNG
(CHEMBL514198 | N-(2-(bis(4-methoxyphenyl)methylami...)
Show SMILES COc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C24H23FN2O4/c1-30-20-11-5-16(6-12-20)23(17-7-13-21(31-2)14-8-17)27-22(28)15-26-24(29)18-3-9-19(25)10-4-18/h3-14,23H,15H2,1-2H3,(H,26,29)(H,27,28)
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n/an/an/an/a 2.31E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263678
PNG
(CHEMBL518287 | N-(2-((3-chlorophenyl)(phenyl)methy...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H18ClFN2O2/c23-18-8-4-7-17(13-18)21(15-5-2-1-3-6-15)26-20(27)14-25-22(28)16-9-11-19(24)12-10-16/h1-13,21H,14H2,(H,25,28)(H,26,27)
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n/an/an/an/a 7.52E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263361
PNG
(CHEMBL514681 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H23ClN2O2/c25-21-14-12-20(13-15-21)24(19-9-5-2-6-10-19)27-23(29)17-26-22(28)16-11-18-7-3-1-4-8-18/h1-10,12-15,24H,11,16-17H2,(H,26,28)(H,27,29)
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n/an/an/an/a 2.92E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263627
PNG
(CHEMBL452423 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)20(15-4-2-1-3-5-15)25-19(26)14-24-21(27)17-10-12-23-13-11-17/h1-13,20H,14H2,(H,24,27)(H,25,26)
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n/an/an/an/a>3.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263402
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(pyridin-4-yl)methylami...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H18FN3O2/c22-18-8-6-17(7-9-18)21(27)24-14-19(26)25-20(15-4-2-1-3-5-15)16-10-12-23-13-11-16/h1-13,20H,14H2,(H,24,27)(H,25,26)
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n/an/an/an/a 730n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263726
PNG
(4-Fluoro-N-{[(5-methyl-6-oxo-6,11-dihydro-5H-diben...)
Show SMILES CN1c2ccccc2C(CNC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc2C1=O
Show InChI InChI=1S/C25H22FN3O3/c1-29-22-9-5-4-7-19(22)21(18-6-2-3-8-20(18)25(29)32)14-27-23(30)15-28-24(31)16-10-12-17(26)13-11-16/h2-13,21H,14-15H2,1H3,(H,27,30)(H,28,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 2


(HUMAN)
BDBM50263628
PNG
(CHEMBL476360 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccsc1)c1ccccc1
Show InChI InChI=1S/C20H17ClN2O2S/c21-17-8-6-15(7-9-17)19(14-4-2-1-3-5-14)23-18(24)12-22-20(25)16-10-11-26-13-16/h1-11,13,19H,12H2,(H,22,25)(H,23,24)
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n/an/an/an/a 1.41E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263400
PNG
(CHEMBL514198 | N-(2-(bis(4-methoxyphenyl)methylami...)
Show SMILES COc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccc(OC)cc1
Show InChI InChI=1S/C24H23FN2O4/c1-30-20-11-5-16(6-12-20)23(17-7-13-21(31-2)14-8-17)27-22(28)15-26-24(29)18-3-9-19(25)10-4-18/h3-14,23H,15H2,1-2H3,(H,26,29)(H,27,28)
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n/an/an/an/a 6.63E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263631
PNG
(CHEMBL476568 | N-(2-(benzhydrylamino)-2-oxoethyl)-...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H19FN2O2/c23-19-13-11-18(12-14-19)22(27)24-15-20(26)25-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,24,27)(H,25,26)
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n/an/an/an/a 110n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263627
PNG
(CHEMBL452423 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)20(15-4-2-1-3-5-15)25-19(26)14-24-21(27)17-10-12-23-13-11-17/h1-13,20H,14H2,(H,24,27)(H,25,26)
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n/an/an/an/a 200n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263630
PNG
(CHEMBL476567 | N-({[(4-Chloro-phenyl)-phenyl-methy...)
Show SMILES CC(=O)NCC(=O)NC(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClN2O2/c1-12(21)19-11-16(22)20-17(13-5-3-2-4-6-13)14-7-9-15(18)10-8-14/h2-10,17H,11H2,1H3,(H,19,21)(H,20,22)
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263404
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(pyrimidin-2-yl)methyla...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1ncccn1
Show InChI InChI=1S/C20H17FN4O2/c21-16-9-7-15(8-10-16)20(27)24-13-17(26)25-18(14-5-2-1-3-6-14)19-22-11-4-12-23-19/h1-12,18H,13H2,(H,24,27)(H,25,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263361
PNG
(CHEMBL514681 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H23ClN2O2/c25-21-14-12-20(13-15-21)24(19-9-5-2-6-10-19)27-23(29)17-26-22(28)16-11-18-7-3-1-4-8-18/h1-10,12-15,24H,11,16-17H2,(H,26,28)(H,27,29)
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n/an/an/an/a 4.79E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263365
PNG
(4-fluoro-N-(2-((4-methoxyphenyl)(phenyl)methylamin...)
Show SMILES COc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O3/c1-29-20-13-9-17(10-14-20)22(16-5-3-2-4-6-16)26-21(27)15-25-23(28)18-7-11-19(24)12-8-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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n/an/an/an/a 1.10E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263397
PNG
((+)-4-chloro-N-(2-((4-chlorophenyl)(phenyl)methyla...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C22H18Cl2N2O2/c23-18-10-6-16(7-11-18)21(15-4-2-1-3-5-15)26-20(27)14-25-22(28)17-8-12-19(24)13-9-17/h1-13,21H,14H2,(H,25,28)(H,26,27)
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n/an/an/an/a 280n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263399
PNG
(CHEMBL475927 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(cc1)C#N)c1ccccc1
Show InChI InChI=1S/C23H18ClN3O2/c24-20-12-10-18(11-13-20)22(17-4-2-1-3-5-17)27-21(28)15-26-23(29)19-8-6-16(14-25)7-9-19/h1-13,22H,15H2,(H,26,29)(H,27,28)
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n/an/an/an/a 230n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263401
PNG
(4-fluoro-N-(2-oxo-2-(1-phenylpropylamino)ethyl)ben...)
Show SMILES CCC(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C18H19FN2O2/c1-2-16(13-6-4-3-5-7-13)21-17(22)12-20-18(23)14-8-10-15(19)11-9-14/h3-11,16H,2,12H2,1H3,(H,20,23)(H,21,22)
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n/an/an/an/a 4.10E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263675
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(o-tolyl)methylamino)et...)
Show SMILES Cc1ccccc1C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-7-5-6-10-20(16)22(17-8-3-2-4-9-17)26-21(27)15-25-23(28)18-11-13-19(24)14-12-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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n/an/an/an/a 4.05E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263676
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(m-tolyl)methylamino)et...)
Show SMILES Cc1cccc(c1)C(NC(=O)CNC(=O)c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C23H21FN2O2/c1-16-6-5-9-19(14-16)22(17-7-3-2-4-8-17)26-21(27)15-25-23(28)18-10-12-20(24)13-11-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
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n/an/an/an/a 56n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263364
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(3-(trifluoromethyl)phe...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H18F4N2O2/c24-19-11-9-16(10-12-19)22(31)28-14-20(30)29-21(15-5-2-1-3-6-15)17-7-4-8-18(13-17)23(25,26)27/h1-13,21H,14H2,(H,28,31)(H,29,30)
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n/an/an/an/a 25n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263680
PNG
(CHEMBL478035 | N-(2-((2-chloro-9H-thioxanthen-9-yl...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C23H18ClFN2O2S/c24-15-7-10-21-18(11-15)19(17-3-1-2-4-20(17)30-21)12-26-22(28)13-27-23(29)14-5-8-16(25)9-6-14/h1-11,19H,12-13H2,(H,26,28)(H,27,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263681
PNG
(CHEMBL478036 | N-{[(10,11-Dihydro-5H-dibenzo[a,d]c...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C25H23FN2O2/c26-20-13-11-19(12-14-20)25(30)28-16-24(29)27-15-23-21-7-3-1-5-17(21)9-10-18-6-2-4-8-22(18)23/h1-8,11-14,23H,9-10,15-16H2,(H,27,29)(H,28,30)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263629
PNG
(CHEMBL514209 | N-(2-((4-chlorophenyl)(phenyl)methy...)
Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)C1CCCC1)c1ccccc1
Show InChI InChI=1S/C21H23ClN2O2/c22-18-12-10-16(11-13-18)20(15-6-2-1-3-7-15)24-19(25)14-23-21(26)17-8-4-5-9-17/h1-3,6-7,10-13,17,20H,4-5,8-9,14H2,(H,23,26)(H,24,25)
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F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263678
PNG
(CHEMBL518287 | N-(2-((3-chlorophenyl)(phenyl)methy...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H18ClFN2O2/c23-18-8-4-7-17(13-18)21(15-5-2-1-3-6-15)26-20(27)14-25-22(28)16-9-11-19(24)12-10-16/h1-13,21H,14H2,(H,25,28)(H,26,27)
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n/an/an/an/a 33n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263679
PNG
(4-fluoro-N-(2-oxo-2-(phenyl(thiazol-2-yl)methylami...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1nccs1)c1ccccc1
Show InChI InChI=1S/C19H16FN3O2S/c20-15-8-6-14(7-9-15)18(25)22-12-16(24)23-17(19-21-10-11-26-19)13-4-2-1-3-5-13/h1-11,17H,12H2,(H,22,25)(H,23,24)
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n/an/an/an/a 5.05E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50263363
PNG
(CHEMBL476557 | N-(2-(bis(3-fluorophenyl)methylamin...)
Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NC(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C22H17F3N2O2/c23-17-9-7-14(8-10-17)22(29)26-13-20(28)27-21(15-3-1-5-18(24)11-15)16-4-2-6-19(25)12-16/h1-12,21H,13H2,(H,26,29)(H,27,28)
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n/an/an/an/a 16n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO


Bioorg Med Chem Lett 18: 5533-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.005
BindingDB Entry DOI: 10.7270/Q2BR8S19
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%