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PubMed code 25318072

Compile data set for download or QSAR
Found 48 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
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50031240
PNG
(CHEMBL3357043)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C24H27ClN2O/c1-2-3-6-22(28)27-14-11-17(12-15-27)23-21-10-9-20(25)16-19(21)8-7-18-5-4-13-26-24(18)23/h4-5,9-10,13,16H,2-3,6-8,11-12,14-15H2,1H3
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 147n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50031115
PNG
(CHEMBL3357041)
Show SMILES [#6]\[#6]=[#6]\[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C23H23ClN2O/c1-2-4-21(27)26-13-10-16(11-14-26)22-20-9-8-19(24)15-18(20)7-6-17-5-3-12-25-23(17)22/h2-5,8-9,12,15H,6-7,10-11,13-14H2,1H3/b4-2+
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 153n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50007465
PNG
(1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,...)
Show SMILES [#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C23H25ClN2O/c1-2-4-21(27)26-13-10-16(11-14-26)22-20-9-8-19(24)15-18(20)7-6-17-5-3-12-25-23(17)22/h3,5,8-9,12,15H,2,4,6-7,10-11,13-14H2,1H3
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 171n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50031122
PNG
(CHEMBL3357042)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C24H27ClN2O/c1-16(2)14-22(28)27-12-9-17(10-13-27)23-21-8-7-20(25)15-19(21)6-5-18-4-3-11-26-24(18)23/h3-4,7-8,11,15-16H,5-6,9-10,12-14H2,1-2H3
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 289n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM22876
PNG
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
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 311n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50031121
PNG
(CHEMBL3357045)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)c1
Show InChI InChI=1S/C27H31ClN2O/c28-23-10-11-24-22(18-23)9-8-21-7-4-14-29-27(21)26(24)20-12-15-30(16-13-20)25(31)17-19-5-2-1-3-6-19/h4,7,10-11,14,18-19H,1-3,5-6,8-9,12-13,15-17H2
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 441n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50031239
PNG
(CHEMBL3357035)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C24H27ClN2O2/c1-16(2)15-29-24(28)27-12-9-17(10-13-27)22-21-8-7-20(25)14-19(21)6-5-18-4-3-11-26-23(18)22/h3-4,7-8,11,14,16H,5-6,9-10,12-13,15H2,1-2H3
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 1.27E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50031119
PNG
(CHEMBL3357024)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cc(-[#8]-[#6])cnc-12
Show InChI InChI=1S/C23H25ClN2O3/c1-3-29-23(27)26-10-8-15(9-11-26)21-20-7-6-18(24)12-16(20)4-5-17-13-19(28-2)14-25-22(17)21/h6-7,12-14H,3-5,8-11H2,1-2H3
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 1.96E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50031116
PNG
(CHEMBL3357049)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 |r|
Show InChI InChI=1S/C25H30ClN3O/c1-16(2)14-22(27)25(30)29-12-9-17(10-13-29)23-21-8-7-20(26)15-19(21)6-5-18-4-3-11-28-24(18)23/h3-4,7-8,11,15-16,22H,5-6,9-10,12-14,27H2,1-2H3/t22-/m1/s1
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 4.65E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50031120
PNG
(CHEMBL3357027)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2ccc(nc-12)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C24H25ClN2O4/c1-3-31-24(29)27-12-10-15(11-13-27)21-19-8-7-18(25)14-17(19)5-4-16-6-9-20(23(28)30-2)26-22(16)21/h6-9,14H,3-5,10-13H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells by scintillation counting method

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031240
PNG
(CHEMBL3357043)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C24H27ClN2O/c1-2-3-6-22(28)27-14-11-17(12-15-27)23-21-10-9-20(25)16-19(21)8-7-18-5-4-13-26-24(18)23/h4-5,9-10,13,16H,2-3,6-8,11-12,14-15H2,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM22876
PNG
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031119
PNG
(CHEMBL3357024)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cc(-[#8]-[#6])cnc-12
Show InChI InChI=1S/C23H25ClN2O3/c1-3-29-23(27)26-10-8-15(9-11-26)21-20-7-6-18(24)12-16(20)4-5-17-13-19(28-2)14-25-22(17)21/h6-7,12-14H,3-5,8-11H2,1-2H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031216
PNG
(CHEMBL3357033)
Show SMILES [#6]-[#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C23H25ClN2O2/c1-2-14-28-23(27)26-12-9-16(10-13-26)21-20-8-7-19(24)15-18(20)6-5-17-4-3-11-25-22(17)21/h3-4,7-8,11,15H,2,5-6,9-10,12-14H2,1H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50007465
PNG
(1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,...)
Show SMILES [#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C23H25ClN2O/c1-2-4-21(27)26-13-10-16(11-14-26)22-20-9-8-19(24)15-18(20)7-6-17-5-3-12-25-23(17)22/h3,5,8-9,12,15H,2,4,6-7,10-11,13-14H2,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031242
PNG
(CHEMBL3357037)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6]-[#6]=[#6])c1
Show InChI InChI=1S/C23H23ClN2O2/c1-2-14-28-23(27)26-12-9-16(10-13-26)21-20-8-7-19(24)15-18(20)6-5-17-4-3-11-25-22(17)21/h2-4,7-8,11,15H,1,5-6,9-10,12-14H2
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n/an/a 4.90E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031115
PNG
(CHEMBL3357041)
Show SMILES [#6]\[#6]=[#6]\[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C23H23ClN2O/c1-2-4-21(27)26-13-10-16(11-14-26)22-20-9-8-19(24)15-18(20)7-6-17-5-3-12-25-23(17)22/h2-5,8-9,12,15H,6-7,10-11,13-14H2,1H3/b4-2+
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n/an/a 5.00E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031117
PNG
(CHEMBL3357044)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C25H29ClN2O/c1-2-3-4-7-23(29)28-15-12-18(13-16-28)24-22-11-10-21(26)17-20(22)9-8-19-6-5-14-27-25(19)24/h5-6,10-11,14,17H,2-4,7-9,12-13,15-16H2,1H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031277
PNG
(CHEMBL3357029)
Show SMILES [#6]-[#6]-[#16]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C22H23ClN2OS/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
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n/an/a 5.30E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031121
PNG
(CHEMBL3357045)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)c1
Show InChI InChI=1S/C27H31ClN2O/c28-23-10-11-24-22(18-23)9-8-21-7-4-14-29-27(21)26(24)20-12-15-30(16-13-20)25(31)17-19-5-2-1-3-6-19/h4,7,10-11,14,18-19H,1-3,5-6,8-9,12-13,15-17H2
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n/an/a 5.70E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031116
PNG
(CHEMBL3357049)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 |r|
Show InChI InChI=1S/C25H30ClN3O/c1-16(2)14-22(27)25(30)29-12-9-17(10-13-29)23-21-8-7-20(26)15-19(21)6-5-18-4-3-11-28-24(18)23/h3-4,7-8,11,15-16,22H,5-6,9-10,12-14,27H2,1-2H3/t22-/m1/s1
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n/an/a 7.70E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031239
PNG
(CHEMBL3357035)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C24H27ClN2O2/c1-16(2)15-29-24(28)27-12-9-17(10-13-27)22-21-8-7-20(25)14-19(21)6-5-18-4-3-11-26-23(18)22/h3-4,7-8,11,14,16H,5-6,9-10,12-13,15H2,1-2H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031122
PNG
(CHEMBL3357042)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C24H27ClN2O/c1-16(2)14-22(28)27-12-9-17(10-13-27)23-21-8-7-20(25)15-19(21)6-5-18-4-3-11-26-24(18)23/h3-4,7-8,11,15-16H,5-6,9-10,12-14H2,1-2H3
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n/an/a 1.08E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031120
PNG
(CHEMBL3357027)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2ccc(nc-12)-[#6](=O)-[#8]-[#6]
Show InChI InChI=1S/C24H25ClN2O4/c1-3-31-24(29)27-12-10-15(11-13-27)21-19-8-7-18(25)14-17(19)5-4-16-6-9-20(23(28)30-2)26-22(16)21/h6-9,14H,3-5,10-13H2,1-2H3
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n/an/a 1.24E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031232
PNG
(CHEMBL3357028)
Show SMILES CCOC(=O)N1CCC(=CC1)C1c2ccc(Cl)cc2CCc2cccnc12 |c:8|
Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-9,11,14,20H,2,5-6,10,12-13H2,1H3
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n/an/a 1.48E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50061421
PNG
(1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#6]-c2ccccc2)c1
Show InChI InChI=1S/C27H25ClN2O/c28-23-10-11-24-22(18-23)9-8-21-7-4-14-29-27(21)26(24)20-12-15-30(16-13-20)25(31)17-19-5-2-1-3-6-19/h1-7,10-11,14,18H,8-9,12-13,15-17H2
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n/an/a 1.61E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031243
PNG
(CHEMBL3357034)
Show SMILES [#6]-[#6](-[#6])-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C23H25ClN2O2/c1-15(2)28-23(27)26-12-9-16(10-13-26)21-20-8-7-19(24)14-18(20)6-5-17-4-3-11-25-22(17)21/h3-4,7-8,11,14-15H,5-6,9-10,12-13H2,1-2H3
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n/an/a 1.68E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031236
PNG
(CHEMBL3357023)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cc(-[#8])cnc-12
Show InChI InChI=1S/C22H23ClN2O3/c1-2-28-22(27)25-9-7-14(8-10-25)20-19-6-5-17(23)11-15(19)3-4-16-12-18(26)13-24-21(16)20/h5-6,11-13,26H,2-4,7-10H2,1H3
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n/an/a 1.76E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031281
PNG
(CHEMBL3357022)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2c(-[#6]-[#8])ccnc-12
Show InChI InChI=1S/C23H25ClN2O3/c1-2-29-23(28)26-11-8-15(9-12-26)21-19-6-4-18(24)13-16(19)3-5-20-17(14-27)7-10-25-22(20)21/h4,6-7,10,13,27H,2-3,5,8-9,11-12,14H2,1H3
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n/an/a 1.83E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031238
PNG
(CHEMBL3357047)
Show SMILES [#7]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C22H24ClN3O/c23-18-5-6-19-17(14-18)4-3-16-2-1-11-25-22(16)21(19)15-8-12-26(13-9-15)20(27)7-10-24/h1-2,5-6,11,14H,3-4,7-10,12-13,24H2
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n/an/a 1.87E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031256
PNG
(CHEMBL3357032)
Show SMILES [#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C21H21ClN2O2/c1-26-21(25)24-11-8-14(9-12-24)19-18-7-6-17(22)13-16(18)5-4-15-3-2-10-23-20(15)19/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
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n/an/a 1.96E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50288503
PNG
(2-Amino-1-[4-(8-chloro-5,6-dihydro-benzo[5,6]cyclo...)
Show SMILES [#7]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C21H22ClN3O/c22-17-5-6-18-16(12-17)4-3-15-2-1-9-24-21(15)20(18)14-7-10-25(11-8-14)19(26)13-23/h1-2,5-6,9,12H,3-4,7-8,10-11,13,23H2
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n/an/a 2.29E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031229
PNG
(CHEMBL3357046)
Show SMILES [#6]-[#8]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C22H23ClN2O2/c1-27-14-20(26)25-11-8-15(9-12-25)21-19-7-6-18(23)13-17(19)5-4-16-3-2-10-24-22(16)21/h2-3,6-7,10,13H,4-5,8-9,11-12,14H2,1H3
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n/an/a 2.64E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031274
PNG
(CHEMBL3357030)
Show SMILES [#6]-[#6]-[#7]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C22H24ClN3O/c1-2-24-22(27)26-12-9-15(10-13-26)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-25-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3,(H,24,27)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50007461
PNG
(1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,...)
Show SMILES [#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C22H23ClN2O/c1-2-20(26)25-12-9-15(10-13-25)21-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-22(16)21/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
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n/an/a 3.60E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031118
PNG
(CHEMBL3357048)
Show SMILES [#6]-[#6](-[#6])-[#6@@H](-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12 |r|
Show InChI InChI=1S/C24H28ClN3O/c1-15(2)22(26)24(29)28-12-9-16(10-13-28)21-20-8-7-19(25)14-18(20)6-5-17-4-3-11-27-23(17)21/h3-4,7-8,11,14-15,22H,5-6,9-10,12-13,26H2,1-2H3/t22-/m1/s1
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n/an/a 3.91E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50036935
PNG
(8-Chloro-11-[1-(5-methyl-pyridin-3-ylmethyl)-piper...)
Show SMILES [#6]-c1cncc(-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]-2\c3ccc(Cl)cc3-[#6]-[#6]-c3cccnc-23)c1
Show InChI InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031241
PNG
(CHEMBL3357040)
Show SMILES [#6]-[#6](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C23H25ClN2O/c1-15(2)23(27)26-12-9-16(10-13-26)21-20-8-7-19(24)14-18(20)6-5-17-4-3-11-25-22(17)21/h3-4,7-8,11,14-15H,5-6,9-10,12-13H2,1-2H3
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n/an/a 4.15E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50007473
PNG
(1-[4-(8-Chloro-5,6-dihydro-benzo[5,6]cyclohepta[1,...)
Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C21H21ClN2O/c1-14(25)24-11-8-15(9-12-24)20-19-7-6-18(22)13-17(19)5-4-16-3-2-10-23-21(16)20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
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n/an/a 5.48E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031278
PNG
(CHEMBL3357026)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2ccc(-[#6]-[#8])nc-12
Show InChI InChI=1S/C23H25ClN2O3/c1-2-29-23(28)26-11-9-15(10-12-26)21-20-8-6-18(24)13-17(20)4-3-16-5-7-19(14-27)25-22(16)21/h5-8,13,27H,2-4,9-12,14H2,1H3
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n/an/a>8.00E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031230
PNG
(CHEMBL3357036)
Show SMILES [#6]C([#6])([#6])[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C24H27ClN2O2/c1-24(2,3)29-23(28)27-13-10-16(11-14-27)21-20-9-8-19(25)15-18(20)7-6-17-5-4-12-26-22(17)21/h4-5,8-9,12,15H,6-7,10-11,13-14H2,1-3H3
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n/an/a>8.00E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031237
PNG
(CHEMBL3357021)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2c(ccnc-12)C#N
Show InChI InChI=1S/C23H22ClN3O2/c1-2-29-23(28)27-11-8-15(9-12-27)21-19-6-4-18(24)13-16(19)3-5-20-17(14-25)7-10-26-22(20)21/h4,6-7,10,13H,2-3,5,8-9,11-12H2,1H3
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n/an/a>8.00E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031270
PNG
(CHEMBL3357031)
Show SMILES [#6]-[#6]-[#6]S(=O)(=O)[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C22H25ClN2O2S/c1-2-14-28(26,27)25-12-9-16(10-13-25)21-20-8-7-19(23)15-18(20)6-5-17-4-3-11-24-22(17)21/h3-4,7-8,11,15H,2,5-6,9-10,12-14H2,1H3
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n/an/a>8.00E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031123
PNG
(CHEMBL3357039)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-[#6]-c2ccccc2)c1
Show InChI InChI=1S/C27H25ClN2O2/c28-23-10-11-24-22(17-23)9-8-21-7-4-14-29-26(21)25(24)20-12-15-30(16-13-20)27(31)32-18-19-5-2-1-3-6-19/h1-7,10-11,14,17H,8-9,12-13,15-16,18H2
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n/an/a>8.00E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031228
PNG
(CHEMBL420316)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2cccnc-12
Show InChI InChI=1S/C20H21ClN2/c1-23-11-8-14(9-12-23)19-18-7-6-17(21)13-16(18)5-4-15-3-2-10-22-20(15)19/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
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n/an/a>8.00E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031244
PNG
(CHEMBL3357038)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2\[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]-c2ccccc2)c1
Show InChI InChI=1S/C26H23ClN2O2/c27-21-10-11-23-20(17-21)9-8-19-5-4-14-28-25(19)24(23)18-12-15-29(16-13-18)26(30)31-22-6-2-1-3-7-22/h1-7,10-11,14,17H,8-9,12-13,15-16H2
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n/an/a>8.00E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50031235
PNG
(CHEMBL3357025)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccc(Cl)cc2-[#6]-[#6]-c2ccc(nc-12)C#N
Show InChI InChI=1S/C23H22ClN3O2/c1-2-29-23(28)27-11-9-15(10-12-27)21-20-8-6-18(24)13-17(20)4-3-16-5-7-19(14-25)26-22(16)21/h5-8,13H,2-4,9-12H2,1H3
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n/an/a>8.00E+4n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
Sodium-dependent neutral amino acid transporter B(0)AT2


(Homo sapiens (Human))		BDBM50073179
PNG
(8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-be...)
Show SMILES Clc1ccc2c(-[#6]-[#6]-c3cccnc3\[#6]-2=[#6]-2/[#6]-[#6]-[#7]-[#6]-[#6]-2)c1
Show InChI InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
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n/an/a 1.72E+5n/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of eGFP-tagged human B0AT2 expressed in HEK293 cells measured within 10 mins by [3H]proline uptake assay

J Med Chem 57: 9473-9 (2014)


Article DOI: 10.1021/jm501086v
BindingDB Entry DOI: 10.7270/Q22F7Q1H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%