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PubMed code 19647430

Compile data set for download or QSAR
Found 104 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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310662
PNG
((S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(16)7-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310652
PNG
((S)-3-chloro-N-isobutyl-2-methyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1C |r|
Show InChI InChI=1S/C16H23ClN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-5-4-6-15(17)12(14)3/h4-6,11,13,18H,7-10H2,1-3H3/t13-/m0/s1
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310647
PNG
((S)-2,3-dichloro-N-phenyl-N-(pyrrolidin-3-yl)benza...)
Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)c2ccccc2)c1Cl |r|
Show InChI InChI=1S/C17H16Cl2N2O/c18-15-8-4-7-14(16(15)19)17(22)21(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,20H,9-11H2/t13-/m0/s1
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310661
PNG
((S)-2,3-dichloro-N-neopentyl-N-(pyrrolidin-3-yl)be...)
Show SMILES CC(C)(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-16(2,3)10-20(11-7-8-19-9-11)15(21)12-5-4-6-13(17)14(12)18/h4-6,11,19H,7-10H2,1-3H3/t11-/m0/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310650
PNG
((S)-3,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)11-3-4-13(16)14(17)7-11/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310656
PNG
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310646
PNG
((S)-2,3-dichloro-N-(2H-pyran-4-yl)-N-(pyrrolidin-3...)
Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)C2=CCOC=C2)c1Cl |r,c:19,t:15|
Show InChI InChI=1S/C16H16Cl2N2O2/c17-14-3-1-2-13(15(14)18)16(21)20(12-4-7-19-10-12)11-5-8-22-9-6-11/h1-3,5-6,8,12,19H,4,7,9-10H2/t12-/m0/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310649
PNG
((S)-3,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(14-3-4-18-8-14)15(20)11-5-12(16)7-13(17)6-11/h5-7,10,14,18H,3-4,8-9H2,1-2H3/t14-/m0/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310644
PNG
((S)-2,3-dichloro-N-cyclopentyl-N-(pyrrolidin-3-yl)...)
Show SMILES Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl |r|
Show InChI InChI=1S/C16H20Cl2N2O/c17-14-7-3-6-13(15(14)18)16(21)20(11-4-1-2-5-11)12-8-9-19-10-12/h3,6-7,11-12,19H,1-2,4-5,8-10H2/t12-/m0/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310666
PNG
((S)-2-chloro-4-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(17)7-14(13)16/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
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7n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50262411
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1
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9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310646
PNG
((S)-2,3-dichloro-N-(2H-pyran-4-yl)-N-(pyrrolidin-3...)
Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)C2=CCOC=C2)c1Cl |r,c:19,t:15|
Show InChI InChI=1S/C16H16Cl2N2O2/c17-14-3-1-2-13(15(14)18)16(21)20(12-4-7-19-10-12)11-5-8-22-9-6-11/h1-3,5-6,8,12,19H,4,7,9-10H2/t12-/m0/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310653
PNG
((S)-3-chloro-2-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1F |r|
Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310644
PNG
((S)-2,3-dichloro-N-cyclopentyl-N-(pyrrolidin-3-yl)...)
Show SMILES Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl |r|
Show InChI InChI=1S/C16H20Cl2N2O/c17-14-7-3-6-13(15(14)18)16(21)20(11-4-1-2-5-11)12-8-9-19-10-12/h3,6-7,11-12,19H,1-2,4-5,8-10H2/t12-/m0/s1
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310647
PNG
((S)-2,3-dichloro-N-phenyl-N-(pyrrolidin-3-yl)benza...)
Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)c2ccccc2)c1Cl |r|
Show InChI InChI=1S/C17H16Cl2N2O/c18-15-8-4-7-14(16(15)19)17(22)21(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,20H,9-11H2/t13-/m0/s1
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310651
PNG
((S)-2-chloro-N-isobutyl-N-(pyrrolidin-3-yl)-3-(tri...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C16H20ClF3N2O/c1-10(2)9-22(11-6-7-21-8-11)15(23)12-4-3-5-13(14(12)17)16(18,19)20/h3-5,10-11,21H,6-9H2,1-2H3/t11-/m0/s1
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310661
PNG
((S)-2,3-dichloro-N-neopentyl-N-(pyrrolidin-3-yl)be...)
Show SMILES CC(C)(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-16(2,3)10-20(11-7-8-19-9-11)15(21)12-5-4-6-13(17)14(12)18/h4-6,11,19H,7-10H2,1-3H3/t11-/m0/s1
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13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310667
PNG
((R)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m1/s1
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13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310664
PNG
((S)-3-fluoro-N-isobutyl-2-methyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1C |r|
Show InChI InChI=1S/C16H23FN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-5-4-6-15(17)12(14)3/h4-6,11,13,18H,7-10H2,1-3H3/t13-/m0/s1
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13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310665
PNG
((S)-2-chloro-3-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1Cl |r|
Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(17)14(12)16/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310660
PNG
((S)-2,3-dichloro-N-(2-cyclopropylethyl)-N-(pyrroli...)
Show SMILES Clc1cccc(C(=O)N(CCC2CC2)[C@H]2CCNC2)c1Cl |r|
Show InChI InChI=1S/C16H20Cl2N2O/c17-14-3-1-2-13(15(14)18)16(21)20(9-7-11-4-5-11)12-6-8-19-10-12/h1-3,11-12,19H,4-10H2/t12-/m0/s1
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310658
PNG
((S)-2,3-dichloro-N-propyl-N-(pyrrolidin-3-yl)benza...)
Show SMILES CCCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C14H18Cl2N2O/c1-2-8-18(10-6-7-17-9-10)14(19)11-4-3-5-12(15)13(11)16/h3-5,10,17H,2,6-9H2,1H3/t10-/m0/s1
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16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310663
PNG
((S)-3-chloro-N-isobutyl-N-(pyrrolidin-3-yl)benzami...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C15H21ClN2O/c1-11(2)10-18(14-6-7-17-9-14)15(19)12-4-3-5-13(16)8-12/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3/t14-/m0/s1
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19n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310645
PNG
((S)-2,3-dichloro-N-(pentan-3-yl)-N-(pyrrolidin-3-y...)
Show SMILES CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-3-11(4-2)20(12-8-9-19-10-12)16(21)13-6-5-7-14(17)15(13)18/h5-7,11-12,19H,3-4,8-10H2,1-2H3/t12-/m0/s1
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310656
PNG
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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21n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310660
PNG
((S)-2,3-dichloro-N-(2-cyclopropylethyl)-N-(pyrroli...)
Show SMILES Clc1cccc(C(=O)N(CCC2CC2)[C@H]2CCNC2)c1Cl |r|
Show InChI InChI=1S/C16H20Cl2N2O/c17-14-3-1-2-13(15(14)18)16(21)20(9-7-11-4-5-11)12-6-8-19-10-12/h1-3,11-12,19H,4-10H2/t12-/m0/s1
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24n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310654
PNG
((S)-3-fluoro-N-isobutyl-N-(pyrrolidin-3-yl)-2-(tri...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1C(F)(F)F |r|
Show InChI InChI=1S/C16H20F4N2O/c1-10(2)9-22(11-6-7-21-8-11)15(23)12-4-3-5-13(17)14(12)16(18,19)20/h3-5,10-11,21H,6-9H2,1-2H3/t11-/m0/s1
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25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310654
PNG
((S)-3-fluoro-N-isobutyl-N-(pyrrolidin-3-yl)-2-(tri...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1C(F)(F)F |r|
Show InChI InChI=1S/C16H20F4N2O/c1-10(2)9-22(11-6-7-21-8-11)15(23)12-4-3-5-13(17)14(12)16(18,19)20/h3-5,10-11,21H,6-9H2,1-2H3/t11-/m0/s1
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26n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310657
PNG
((S)-2,3-dichloro-N-ethyl-N-(pyrrolidin-3-yl)benzam...)
Show SMILES CCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C13H16Cl2N2O/c1-2-17(9-6-7-16-8-9)13(18)10-4-3-5-11(14)12(10)15/h3-5,9,16H,2,6-8H2,1H3/t9-/m0/s1
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29n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310652
PNG
((S)-3-chloro-N-isobutyl-2-methyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1C |r|
Show InChI InChI=1S/C16H23ClN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-5-4-6-15(17)12(14)3/h4-6,11,13,18H,7-10H2,1-3H3/t13-/m0/s1
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29n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310658
PNG
((S)-2,3-dichloro-N-propyl-N-(pyrrolidin-3-yl)benza...)
Show SMILES CCCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C14H18Cl2N2O/c1-2-8-18(10-6-7-17-9-10)14(19)11-4-3-5-12(15)13(11)16/h3-5,10,17H,2,6-9H2,1H3/t10-/m0/s1
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36n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310645
PNG
((S)-2,3-dichloro-N-(pentan-3-yl)-N-(pyrrolidin-3-y...)
Show SMILES CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-3-11(4-2)20(12-8-9-19-10-12)16(21)13-6-5-7-14(17)15(13)18/h5-7,11-12,19H,3-4,8-10H2,1-2H3/t12-/m0/s1
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37n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310662
PNG
((S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(16)7-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
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37n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310659
PNG
((S)-2,3-dichloro-N-(pyrrolidin-3-yl)-N-(2,2,2-trif...)
Show SMILES FC(F)(F)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C13H13Cl2F3N2O/c14-10-3-1-2-9(11(10)15)12(21)20(7-13(16,17)18)8-4-5-19-6-8/h1-3,8,19H,4-7H2/t8-/m0/s1
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39n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310649
PNG
((S)-3,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(14-3-4-18-8-14)15(20)11-5-12(16)7-13(17)6-11/h5-7,10,14,18H,3-4,8-9H2,1-2H3/t14-/m0/s1
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43n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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45n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310650
PNG
((S)-3,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)11-3-4-13(16)14(17)7-11/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
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50n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50262411
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1
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52n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310648
PNG
((S)-2,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-7-11(16)3-4-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
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54n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310655
PNG
((S)-N-isobutyl-2-isopropyl-N-(pyrrolidin-3-yl)benz...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1C(C)C |r|
Show InChI InChI=1S/C18H28N2O/c1-13(2)12-20(15-9-10-19-11-15)18(21)17-8-6-5-7-16(17)14(3)4/h5-8,13-15,19H,9-12H2,1-4H3/t15-/m0/s1
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65n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310665
PNG
((S)-2-chloro-3-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1Cl |r|
Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(17)14(12)16/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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67n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310664
PNG
((S)-3-fluoro-N-isobutyl-2-methyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1C |r|
Show InChI InChI=1S/C16H23FN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-5-4-6-15(17)12(14)3/h4-6,11,13,18H,7-10H2,1-3H3/t13-/m0/s1
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69n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310659
PNG
((S)-2,3-dichloro-N-(pyrrolidin-3-yl)-N-(2,2,2-trif...)
Show SMILES FC(F)(F)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C13H13Cl2F3N2O/c14-10-3-1-2-9(11(10)15)12(21)20(7-13(16,17)18)8-4-5-19-6-8/h1-3,8,19H,4-7H2/t8-/m0/s1
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95n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310651
PNG
((S)-2-chloro-N-isobutyl-N-(pyrrolidin-3-yl)-3-(tri...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C16H20ClF3N2O/c1-10(2)9-22(11-6-7-21-8-11)15(23)12-4-3-5-13(14(12)17)16(18,19)20/h3-5,10-11,21H,6-9H2,1-2H3/t11-/m0/s1
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103n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310663
PNG
((S)-3-chloro-N-isobutyl-N-(pyrrolidin-3-yl)benzami...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C15H21ClN2O/c1-11(2)10-18(14-6-7-17-9-14)15(19)12-4-3-5-13(16)8-12/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3/t14-/m0/s1
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135n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310653
PNG
((S)-3-chloro-2-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1F |r|
Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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139n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310667
PNG
((R)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m1/s1
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169n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310648
PNG
((S)-2,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-7-11(16)3-4-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
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198n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310657
PNG
((S)-2,3-dichloro-N-ethyl-N-(pyrrolidin-3-yl)benzam...)
Show SMILES CCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C13H16Cl2N2O/c1-2-17(9-6-7-16-8-9)13(18)10-4-3-5-11(14)12(10)15/h3-5,9,16H,2,6-8H2,1H3/t9-/m0/s1
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217n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50310666
PNG
((S)-2-chloro-4-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(17)7-14(13)16/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
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263n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310661
PNG
((S)-2,3-dichloro-N-neopentyl-N-(pyrrolidin-3-yl)be...)
Show SMILES CC(C)(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-16(2,3)10-20(11-7-8-19-9-11)15(21)12-5-4-6-13(17)14(12)18/h4-6,11,19H,7-10H2,1-3H3/t11-/m0/s1
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273n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310660
PNG
((S)-2,3-dichloro-N-(2-cyclopropylethyl)-N-(pyrroli...)
Show SMILES Clc1cccc(C(=O)N(CCC2CC2)[C@H]2CCNC2)c1Cl |r|
Show InChI InChI=1S/C16H20Cl2N2O/c17-14-3-1-2-13(15(14)18)16(21)20(9-7-11-4-5-11)12-6-8-19-10-12/h1-3,11-12,19H,4-10H2/t12-/m0/s1
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404n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310650
PNG
((S)-3,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)11-3-4-13(16)14(17)7-11/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
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430n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM84745
PNG
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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435n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310647
PNG
((S)-2,3-dichloro-N-phenyl-N-(pyrrolidin-3-yl)benza...)
Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)c2ccccc2)c1Cl |r|
Show InChI InChI=1S/C17H16Cl2N2O/c18-15-8-4-7-14(16(15)19)17(22)21(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,20H,9-11H2/t13-/m0/s1
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501n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310652
PNG
((S)-3-chloro-N-isobutyl-2-methyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1C |r|
Show InChI InChI=1S/C16H23ClN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-5-4-6-15(17)12(14)3/h4-6,11,13,18H,7-10H2,1-3H3/t13-/m0/s1
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516n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310656
PNG
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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544n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310658
PNG
((S)-2,3-dichloro-N-propyl-N-(pyrrolidin-3-yl)benza...)
Show SMILES CCCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C14H18Cl2N2O/c1-2-8-18(10-6-7-17-9-10)14(19)11-4-3-5-12(15)13(11)16/h3-5,10,17H,2,6-9H2,1H3/t10-/m0/s1
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630n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50262411
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1
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640n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310646
PNG
((S)-2,3-dichloro-N-(2H-pyran-4-yl)-N-(pyrrolidin-3...)
Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)C2=CCOC=C2)c1Cl |r,c:19,t:15|
Show InChI InChI=1S/C16H16Cl2N2O2/c17-14-3-1-2-13(15(14)18)16(21)20(12-4-7-19-10-12)11-5-8-22-9-6-11/h1-3,5-6,8,12,19H,4,7,9-10H2/t12-/m0/s1
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945n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310644
PNG
((S)-2,3-dichloro-N-cyclopentyl-N-(pyrrolidin-3-yl)...)
Show SMILES Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl |r|
Show InChI InChI=1S/C16H20Cl2N2O/c17-14-7-3-6-13(15(14)18)16(21)20(11-4-1-2-5-11)12-8-9-19-10-12/h3,6-7,11-12,19H,1-2,4-5,8-10H2/t12-/m0/s1
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983n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310657
PNG
((S)-2,3-dichloro-N-ethyl-N-(pyrrolidin-3-yl)benzam...)
Show SMILES CCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C13H16Cl2N2O/c1-2-17(9-6-7-16-8-9)13(18)10-4-3-5-11(14)12(10)15/h3-5,9,16H,2,6-8H2,1H3/t9-/m0/s1
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1.09E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50310655
PNG
((S)-N-isobutyl-2-isopropyl-N-(pyrrolidin-3-yl)benz...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1C(C)C |r|
Show InChI InChI=1S/C18H28N2O/c1-13(2)12-20(15-9-10-19-11-15)18(21)17-8-6-5-7-16(17)14(3)4/h5-8,13-15,19H,9-12H2,1-4H3/t15-/m0/s1
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1.32E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310663
PNG
((S)-3-chloro-N-isobutyl-N-(pyrrolidin-3-yl)benzami...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C15H21ClN2O/c1-11(2)10-18(14-6-7-17-9-14)15(19)12-4-3-5-13(16)8-12/h3-5,8,11,14,17H,6-7,9-10H2,1-2H3/t14-/m0/s1
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1.33E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310664
PNG
((S)-3-fluoro-N-isobutyl-2-methyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1C |r|
Show InChI InChI=1S/C16H23FN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-5-4-6-15(17)12(14)3/h4-6,11,13,18H,7-10H2,1-3H3/t13-/m0/s1
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1.61E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310651
PNG
((S)-2-chloro-N-isobutyl-N-(pyrrolidin-3-yl)-3-(tri...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C16H20ClF3N2O/c1-10(2)9-22(11-6-7-21-8-11)15(23)12-4-3-5-13(14(12)17)16(18,19)20/h3-5,10-11,21H,6-9H2,1-2H3/t11-/m0/s1
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2.07E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310665
PNG
((S)-2-chloro-3-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1Cl |r|
Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(17)14(12)16/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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2.37E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310662
PNG
((S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(16)7-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310648
PNG
((S)-2,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-7-11(16)3-4-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
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2.43E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310666
PNG
((S)-2-chloro-4-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(F)cc1Cl |r|
Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-4-3-11(17)7-14(13)16/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
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2.54E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310653
PNG
((S)-3-chloro-2-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1F |r|
Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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2.56E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310645
PNG
((S)-2,3-dichloro-N-(pentan-3-yl)-N-(pyrrolidin-3-y...)
Show SMILES CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-3-11(4-2)20(12-8-9-19-10-12)16(21)13-6-5-7-14(17)15(13)18/h5-7,11-12,19H,3-4,8-10H2,1-2H3/t12-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310649
PNG
((S)-3,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(14-3-4-18-8-14)15(20)11-5-12(16)7-13(17)6-11/h5-7,10,14,18H,3-4,8-9H2,1-2H3/t14-/m0/s1
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3.07E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310667
PNG
((R)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m1/s1
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3.09E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310655
PNG
((S)-N-isobutyl-2-isopropyl-N-(pyrrolidin-3-yl)benz...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1C(C)C |r|
Show InChI InChI=1S/C18H28N2O/c1-13(2)12-20(15-9-10-19-11-15)18(21)17-8-6-5-7-16(17)14(3)4/h5-8,13-15,19H,9-12H2,1-4H3/t15-/m0/s1
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3.59E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50310659
PNG
((S)-2,3-dichloro-N-(pyrrolidin-3-yl)-N-(2,2,2-trif...)
Show SMILES FC(F)(F)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C13H13Cl2F3N2O/c14-10-3-1-2-9(11(10)15)12(21)20(7-13(16,17)18)8-4-5-19-6-8/h1-3,8,19H,4-7H2/t8-/m0/s1
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3.73E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310651
PNG
((S)-2-chloro-N-isobutyl-N-(pyrrolidin-3-yl)-3-(tri...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(c1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C16H20ClF3N2O/c1-10(2)9-22(11-6-7-21-8-11)15(23)12-4-3-5-13(14(12)17)16(18,19)20/h3-5,10-11,21H,6-9H2,1-2H3/t11-/m0/s1
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n/an/a 4.12E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50310656
PNG
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310660
PNG
((S)-2,3-dichloro-N-(2-cyclopropylethyl)-N-(pyrroli...)
Show SMILES Clc1cccc(C(=O)N(CCC2CC2)[C@H]2CCNC2)c1Cl |r|
Show InChI InChI=1S/C16H20Cl2N2O/c17-14-3-1-2-13(15(14)18)16(21)20(9-7-11-4-5-11)12-6-8-19-10-12/h1-3,11-12,19H,4-10H2/t12-/m0/s1
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n/an/a 7.14E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310645
PNG
((S)-2,3-dichloro-N-(pentan-3-yl)-N-(pyrrolidin-3-y...)
Show SMILES CCC(CC)N([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-3-11(4-2)20(12-8-9-19-10-12)16(21)13-6-5-7-14(17)15(13)18/h5-7,11-12,19H,3-4,8-10H2,1-2H3/t12-/m0/s1
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n/an/a 7.74E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310647
PNG
((S)-2,3-dichloro-N-phenyl-N-(pyrrolidin-3-yl)benza...)
Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)c2ccccc2)c1Cl |r|
Show InChI InChI=1S/C17H16Cl2N2O/c18-15-8-4-7-14(16(15)19)17(22)21(13-9-10-20-11-13)12-5-2-1-3-6-12/h1-8,13,20H,9-11H2/t13-/m0/s1
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n/an/a 7.92E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310654
PNG
((S)-3-fluoro-N-isobutyl-N-(pyrrolidin-3-yl)-2-(tri...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(F)c1C(F)(F)F |r|
Show InChI InChI=1S/C16H20F4N2O/c1-10(2)9-22(11-6-7-21-8-11)15(23)12-4-3-5-13(17)14(12)16(18,19)20/h3-5,10-11,21H,6-9H2,1-2H3/t11-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310659
PNG
((S)-2,3-dichloro-N-(pyrrolidin-3-yl)-N-(2,2,2-trif...)
Show SMILES FC(F)(F)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C13H13Cl2F3N2O/c14-10-3-1-2-9(11(10)15)12(21)20(7-13(16,17)18)8-4-5-19-6-8/h1-3,8,19H,4-7H2/t8-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310653
PNG
((S)-3-chloro-2-fluoro-N-isobutyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1F |r|
Show InChI InChI=1S/C15H20ClFN2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310649
PNG
((S)-3,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(14-3-4-18-8-14)15(20)11-5-12(16)7-13(17)6-11/h5-7,10,14,18H,3-4,8-9H2,1-2H3/t14-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310644
PNG
((S)-2,3-dichloro-N-cyclopentyl-N-(pyrrolidin-3-yl)...)
Show SMILES Clc1cccc(C(=O)N(C2CCCC2)[C@H]2CCNC2)c1Cl |r|
Show InChI InChI=1S/C16H20Cl2N2O/c17-14-7-3-6-13(15(14)18)16(21)20(11-4-1-2-5-11)12-8-9-19-10-12/h3,6-7,11-12,19H,1-2,4-5,8-10H2/t12-/m0/s1
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n/an/a 1.03E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310655
PNG
((S)-N-isobutyl-2-isopropyl-N-(pyrrolidin-3-yl)benz...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccccc1C(C)C |r|
Show InChI InChI=1S/C18H28N2O/c1-13(2)12-20(15-9-10-19-11-15)18(21)17-8-6-5-7-16(17)14(3)4/h5-8,13-15,19H,9-12H2,1-4H3/t15-/m0/s1
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n/an/a 1.29E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310661
PNG
((S)-2,3-dichloro-N-neopentyl-N-(pyrrolidin-3-yl)be...)
Show SMILES CC(C)(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C16H22Cl2N2O/c1-16(2,3)10-20(11-7-8-19-9-11)15(21)12-5-4-6-13(17)14(12)18/h4-6,11,19H,7-10H2,1-3H3/t11-/m0/s1
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n/an/a 1.68E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310650
PNG
((S)-3,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)11-3-4-13(16)14(17)7-11/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
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n/an/a 1.72E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310658
PNG
((S)-2,3-dichloro-N-propyl-N-(pyrrolidin-3-yl)benza...)
Show SMILES CCCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C14H18Cl2N2O/c1-2-8-18(10-6-7-17-9-10)14(19)11-4-3-5-12(15)13(11)16/h3-5,10,17H,2,6-9H2,1H3/t10-/m0/s1
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n/an/a>1.86E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310648
PNG
((S)-2,5-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-6-18-8-12)15(20)13-7-11(16)3-4-14(13)17/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3/t12-/m0/s1
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n/an/a 1.98E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310657
PNG
((S)-2,3-dichloro-N-ethyl-N-(pyrrolidin-3-yl)benzam...)
Show SMILES CCN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C13H16Cl2N2O/c1-2-17(9-6-7-16-8-9)13(18)10-4-3-5-11(14)12(10)15/h3-5,9,16H,2,6-8H2,1H3/t9-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310656
PNG
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50262411
PNG
((S)-N-(2,3-dichlorobenzyl)-N-(pyrrolidin-3-yl)isob...)
Show SMILES CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1 |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1
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n/an/a 2.47E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50310656
PNG
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using testosterone as a substrate


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50310656
PNG
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using midazolam as a substrate


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50310656
PNG
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using felodipine as a substrate


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50310656
PNG
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50310656
PNG
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50310656
PNG
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50310656
PNG
((S)-2,3-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)ben...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(11-6-7-18-8-11)15(20)12-4-3-5-13(16)14(12)17/h3-5,10-11,18H,6-9H2,1-2H3/t11-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310646
PNG
((S)-2,3-dichloro-N-(2H-pyran-4-yl)-N-(pyrrolidin-3...)
Show SMILES Clc1cccc(C(=O)N([C@H]2CCNC2)C2=CCOC=C2)c1Cl |r,c:19,t:15|
Show InChI InChI=1S/C16H16Cl2N2O2/c17-14-3-1-2-13(15(14)18)16(21)20(12-4-7-19-10-12)11-5-8-22-9-6-11/h1-3,5-6,8,12,19H,4,7,9-10H2/t12-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50310652
PNG
((S)-3-chloro-N-isobutyl-2-methyl-N-(pyrrolidin-3-y...)
Show SMILES CC(C)CN([C@H]1CCNC1)C(=O)c1cccc(Cl)c1C |r|
Show InChI InChI=1S/C16H23ClN2O/c1-11(2)10-19(13-7-8-18-9-13)16(20)14-5-4-6-15(17)12(14)3/h4-6,11,13,18H,7-10H2,1-3H3/t13-/m0/s1
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PubMed
n/an/a 5.24E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 5078-81 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.049
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%