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PubMed code 20137933

Compile Data Set for Download or QSAR

Found 218 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))
BDBM50312779
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C27H24ClN3O2/c1-18-17-30(14-15-31(18)27(33)22-11-8-20-12-13-29-25(20)16-22)26(32)21-9-6-19(7-10-21)23-4-2-3-5-24(23)28/h2-13,16,18,29H,14-15,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of SERT


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of alpha2A adrenergic receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50312768
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C28H24F3N3O3/c1-18-17-33(14-15-34(18)27(36)23-7-4-21-12-13-32-25(21)16-23)26(35)22-5-2-19(3-6-22)20-8-10-24(11-9-20)37-28(29,30)31/h2-13,16,18,32H,14-15,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of alpha2A adrenergic receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50312766
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C |r|
Show InChI InChI=1S/C28H27N3O2/c1-19-5-3-4-6-25(19)21-7-10-23(11-8-21)27(32)30-15-16-31(20(2)18-30)28(33)24-12-9-22-13-14-29-26(22)17-24/h3-14,17,20,29H,15-16,18H2,1-2H3/t20-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine D3 rceptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50312773
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C28H24F3N3O3/c1-18-17-33(13-14-34(18)27(36)23-10-7-20-11-12-32-25(20)16-23)26(35)21-8-5-19(6-9-21)22-3-2-4-24(15-22)37-28(29,30)31/h2-12,15-16,18,32H,13-14,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of DAT


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50312775
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C27H24FN3O2/c1-18-17-30(13-14-31(18)27(33)23-10-7-20-11-12-29-25(20)16-23)26(32)21-8-5-19(6-9-21)22-3-2-4-24(28)15-22/h2-12,15-16,18,29H,13-14,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of DAT


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50312766
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C |r|
Show InChI InChI=1S/C28H27N3O2/c1-19-5-3-4-6-25(19)21-7-10-23(11-8-21)27(32)30-15-16-31(20(2)18-30)28(33)24-12-9-22-13-14-29-26(22)17-24/h3-14,17,20,29H,15-16,18H2,1-2H3/t20-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of DAT


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50312772
PNG
((R)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50312775
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C27H24FN3O2/c1-18-17-30(13-14-31(18)27(33)23-10-7-20-11-12-29-25(20)16-23)26(32)21-8-5-19(6-9-21)22-3-2-4-24(28)15-22/h2-12,15-16,18,29H,13-14,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50312777
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES COc1ccccc1-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(15-16-31(19)28(33)23-12-9-21-13-14-29-25(21)17-23)27(32)22-10-7-20(8-11-22)24-5-3-4-6-26(24)34-2/h3-14,17,19,29H,15-16,18H2,1-2H3/t19-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50312774
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C28H24F3N3O2/c1-18-17-33(13-14-34(18)27(36)23-10-7-20-11-12-32-25(20)16-23)26(35)21-8-5-19(6-9-21)22-3-2-4-24(15-22)28(29,30)31/h2-12,15-16,18,32H,13-14,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50312775
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C27H24FN3O2/c1-18-17-30(13-14-31(18)27(33)23-10-7-20-11-12-29-25(20)16-23)26(32)21-8-5-19(6-9-21)22-3-2-4-24(28)15-22/h2-12,15-16,18,29H,13-14,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M3 receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of NET


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50312774
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C28H24F3N3O2/c1-18-17-33(13-14-34(18)27(36)23-10-7-20-11-12-32-25(20)16-23)26(35)21-8-5-19(6-9-21)22-3-2-4-24(15-22)28(29,30)31/h2-12,15-16,18,32H,13-14,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of NET


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50312766
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C |r|
Show InChI InChI=1S/C28H27N3O2/c1-19-5-3-4-6-25(19)21-7-10-23(11-8-21)27(32)30-15-16-31(20(2)18-30)28(33)24-12-9-22-13-14-29-26(22)17-24/h3-14,17,20,29H,15-16,18H2,1-2H3/t20-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of NET


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50312769
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H24FN3O2/c1-18-17-30(14-15-31(18)27(33)23-7-4-21-12-13-29-25(21)16-23)26(32)22-5-2-19(3-6-22)20-8-10-24(28)11-9-20/h2-13,16,18,29H,14-15,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of NET


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50312772
PNG
((R)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50312766
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C |r|
Show InChI InChI=1S/C28H27N3O2/c1-19-5-3-4-6-25(19)21-7-10-23(11-8-21)27(32)30-15-16-31(20(2)18-30)28(33)24-12-9-22-13-14-29-26(22)17-24/h3-14,17,20,29H,15-16,18H2,1-2H3/t20-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50312779
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C27H24ClN3O2/c1-18-17-30(14-15-31(18)27(33)22-11-8-20-12-13-29-25(20)16-22)26(32)21-9-6-19(7-10-21)23-4-2-3-5-24(23)28/h2-13,16,18,29H,14-15,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 rceptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine D3 rceptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50312772
PNG
((R)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine D3 rceptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5HT2A (receptor)


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50312777
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES COc1ccccc1-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(15-16-31(19)28(33)23-12-9-21-13-14-29-25(21)17-23)27(32)22-10-7-20(8-11-22)24-5-3-4-6-26(24)34-2/h3-14,17,19,29H,15-16,18H2,1-2H3/t19-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5HT2A (receptor)


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50312773
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C28H24F3N3O3/c1-18-17-33(13-14-34(18)27(36)23-10-7-20-11-12-32-25(20)16-23)26(35)21-8-5-19(6-9-21)22-3-2-4-24(15-22)37-28(29,30)31/h2-12,15-16,18,32H,13-14,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5HT2C (receptor)


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50312779
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C27H24ClN3O2/c1-18-17-30(14-15-31(18)27(33)22-11-8-20-12-13-29-25(20)16-22)26(32)21-9-6-19(7-10-21)23-4-2-3-5-24(23)28/h2-13,16,18,29H,14-15,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5HT2C (receptor)


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50312772
PNG
((R)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of SERT


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50312767
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(15-16-31(19)28(33)24-8-5-22-13-14-29-26(22)17-24)27(32)23-6-3-20(4-7-23)21-9-11-25(34-2)12-10-21/h3-14,17,19,29H,15-16,18H2,1-2H3/t19-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of SERT


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50312779
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C27H24ClN3O2/c1-18-17-30(14-15-31(18)27(33)22-11-8-20-12-13-29-25(20)16-22)26(32)21-9-6-19(7-10-21)23-4-2-3-5-24(23)28/h2-13,16,18,29H,14-15,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine D3 rceptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5HT2C (receptor)


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50312779
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1Cl |r|
Show InChI InChI=1S/C27H24ClN3O2/c1-18-17-30(14-15-31(18)27(33)22-11-8-20-12-13-29-25(20)16-22)26(32)21-9-6-19(7-10-21)23-4-2-3-5-24(23)28/h2-13,16,18,29H,14-15,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of DAT


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50312778
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1F |r|
Show InChI InChI=1S/C27H24FN3O2/c1-18-17-30(14-15-31(18)27(33)22-11-8-20-12-13-29-25(20)16-22)26(32)21-9-6-19(7-10-21)23-4-2-3-5-24(23)28/h2-13,16,18,29H,14-15,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50312773
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C28H24F3N3O3/c1-18-17-33(13-14-34(18)27(36)23-10-7-20-11-12-32-25(20)16-23)26(35)21-8-5-19(6-9-21)22-3-2-4-24(15-22)37-28(29,30)31/h2-12,15-16,18,32H,13-14,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M3 receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50312778
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1F |r|
Show InChI InChI=1S/C27H24FN3O2/c1-18-17-30(14-15-31(18)27(33)22-11-8-20-12-13-29-25(20)16-22)26(32)21-9-6-19(7-10-21)23-4-2-3-5-24(23)28/h2-13,16,18,29H,14-15,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M3 receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50312775
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C27H24FN3O2/c1-18-17-30(13-14-31(18)27(33)23-10-7-20-11-12-29-25(20)16-23)26(32)21-8-5-19(6-9-21)22-3-2-4-24(28)15-22/h2-12,15-16,18,29H,13-14,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of NET


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50312777
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES COc1ccccc1-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(15-16-31(19)28(33)23-12-9-21-13-14-29-25(21)17-23)27(32)22-10-7-20(8-11-22)24-5-3-4-6-26(24)34-2/h3-14,17,19,29H,15-16,18H2,1-2H3/t19-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of NET


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50312780
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C28H24F3N3O2/c1-18-17-33(14-15-34(18)27(36)22-11-8-20-12-13-32-25(20)16-22)26(35)21-9-6-19(7-10-21)23-4-2-3-5-24(23)28(29,30)31/h2-13,16,18,32H,14-15,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of NET


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50312769
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H24FN3O2/c1-18-17-30(14-15-31(18)27(33)23-7-4-21-12-13-29-25(21)16-23)26(32)22-5-2-19(3-6-22)20-8-10-24(28)11-9-20/h2-13,16,18,29H,14-15,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50312775
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C27H24FN3O2/c1-18-17-30(13-14-31(18)27(33)23-10-7-20-11-12-29-25(20)16-23)26(32)21-8-5-19(6-9-21)22-3-2-4-24(28)15-22/h2-12,15-16,18,29H,13-14,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 rceptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50312778
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1F |r|
Show InChI InChI=1S/C27H24FN3O2/c1-18-17-30(14-15-31(18)27(33)22-11-8-20-12-13-29-25(20)16-22)26(32)21-9-6-19(7-10-21)23-4-2-3-5-24(23)28/h2-13,16,18,29H,14-15,17H2,1H3/t18-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 rceptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50312766
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C |r|
Show InChI InChI=1S/C28H27N3O2/c1-19-5-3-4-6-25(19)21-7-10-23(11-8-21)27(32)30-15-16-31(20(2)18-30)28(33)24-12-9-22-13-14-29-26(22)17-24/h3-14,17,20,29H,15-16,18H2,1-2H3/t20-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 rceptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50312768
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C28H24F3N3O3/c1-18-17-33(14-15-34(18)27(36)23-7-4-21-12-13-32-25(21)16-23)26(35)22-5-2-19(3-6-22)20-8-10-24(11-9-20)37-28(29,30)31/h2-13,16,18,32H,14-15,17H2,1H3/t18-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 rceptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50312767
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(15-16-31(19)28(33)24-8-5-22-13-14-29-26(22)17-24)27(32)23-6-3-20(4-7-23)21-9-11-25(34-2)12-10-21/h3-14,17,19,29H,15-16,18H2,1-2H3/t19-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5HT2A (receptor)


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50312780
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C28H24F3N3O2/c1-18-17-33(14-15-34(18)27(36)22-11-8-20-12-13-32-25(20)16-22)26(35)21-9-6-19(7-10-21)23-4-2-3-5-24(23)28(29,30)31/h2-13,16,18,32H,14-15,17H2,1H3/t18-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5HT2C (receptor)


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50312773
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C28H24F3N3O3/c1-18-17-33(13-14-34(18)27(36)23-10-7-20-11-12-32-25(20)16-23)26(35)21-8-5-19(6-9-21)22-3-2-4-24(15-22)37-28(29,30)31/h2-12,15-16,18,32H,13-14,17H2,1H3/t18-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of SERT


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50312776
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H25N3O2/c1-19-18-29(26(31)23-10-7-21(8-11-23)20-5-3-2-4-6-20)15-16-30(19)27(32)24-12-9-22-13-14-28-25(22)17-24/h2-14,17,19,28H,15-16,18H2,1H3/t19-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of SERT


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50312780
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccccc1C(F)(F)F |r|
Show InChI InChI=1S/C28H24F3N3O2/c1-18-17-33(14-15-34(18)27(36)22-11-8-20-12-13-32-25(20)16-22)26(35)21-9-6-19(7-10-21)23-4-2-3-5-24(23)28(29,30)31/h2-13,16,18,32H,14-15,17H2,1H3/t18-/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of alpha2A adrenergic receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50312768
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(OC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C28H24F3N3O3/c1-18-17-33(14-15-34(18)27(36)23-7-4-21-12-13-32-25(21)16-23)26(35)22-5-2-19(3-6-22)20-8-10-24(11-9-20)37-28(29,30)31/h2-13,16,18,32H,14-15,17H2,1H3/t18-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine D3 rceptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50312769
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H24FN3O2/c1-18-17-30(14-15-31(18)27(33)23-7-4-21-12-13-29-25(21)16-23)26(32)22-5-2-19(3-6-22)20-8-10-24(28)11-9-20/h2-13,16,18,29H,14-15,17H2,1H3/t18-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine D3 rceptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50312769
PNG
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc2cc[nH]c2c1)C(=O)c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H24FN3O2/c1-18-17-30(14-15-31(18)27(33)23-7-4-21-12-13-29-25(21)16-23)26(32)22-5-2-19(3-6-22)20-8-10-24(28)11-9-20/h2-13,16,18,29H,14-15,17H2,1H3/t18-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5HT2A (receptor)


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%