Found 462 hits with Last Name = 'gogas' and Initial = 'k' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170395
(Biphenyl-4-carboxylic acid [6-(3-methylamino-pyrro...)Show SMILES CNC1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cn1 Show InChI InChI=1S/C23H24N4O/c1-24-21-13-14-27(16-21)22-12-11-20(15-25-22)26-23(28)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15,21,24H,13-14,16H2,1H3,(H,26,28) | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170411
(Biphenyl-4-carboxylic acid [4-(3-methylamino-pyrro...)Show SMILES CNC1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H25N3O/c1-25-22-15-16-27(17-22)23-13-11-21(12-14-23)26-24(28)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,22,25H,15-17H2,1H3,(H,26,28) | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170390
(Biphenyl-4-carboxylic acid [4-(3-dimethylamino-pyr...)Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H27N3O/c1-27(2)24-16-17-28(18-24)23-14-12-22(13-15-23)26-25(29)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-15,24H,16-18H2,1-2H3,(H,26,29) | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170413
(Biphenyl-4-carboxylic acid {4-[3-(cyclopropylmethy...)Show SMILES CN(CC1CC1)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C28H31N3O/c1-30(19-21-7-8-21)27-17-18-31(20-27)26-15-13-25(14-16-26)29-28(32)24-11-9-23(10-12-24)22-5-3-2-4-6-22/h2-6,9-16,21,27H,7-8,17-20H2,1H3,(H,29,32) | Reactome pathway
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PC cid
PC sid
UniChem
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| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170400
(Biphenyl-4-carboxylic acid {4-[3-(ethyl-methyl-ami...)Show SMILES CCN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C26H29N3O/c1-3-28(2)25-17-18-29(19-25)24-15-13-23(14-16-24)27-26(30)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16,25H,3,17-19H2,1-2H3,(H,27,30) | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170404
(Biphenyl-4-carboxylic acid (4-{3-[methyl-(3-phenyl...)Show SMILES CN(CCCc1ccccc1)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C33H35N3O/c1-35(23-8-11-26-9-4-2-5-10-26)32-22-24-36(25-32)31-20-18-30(19-21-31)34-33(37)29-16-14-28(15-17-29)27-12-6-3-7-13-27/h2-7,9-10,12-21,32H,8,11,22-25H2,1H3,(H,34,37) | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170401
(4-(4-Chloro-phenyl)-cyclohexanecarboxylic acid [4-...)Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)C2CCC(CC2)c2ccc(Cl)cc2)cc1 |(10.24,-3.22,;10.39,-1.69,;11.79,-1.05,;9.13,-.79,;9.12,.75,;7.65,1.21,;6.77,-.05,;7.68,-1.28,;5.23,-.05,;4.44,1.28,;2.9,1.25,;2.13,-.08,;.59,-.09,;-.18,1.24,;.59,2.58,;-1.72,1.24,;-2.49,-.1,;-4.03,-.1,;-4.8,1.23,;-4.03,2.57,;-2.49,2.57,;-6.34,1.23,;-7.11,-.1,;-8.63,-.12,;-9.42,1.23,;-10.96,1.23,;-8.65,2.56,;-7.11,2.56,;2.92,-1.41,;4.46,-1.41,)| Show InChI InChI=1S/C25H32ClN3O/c1-28(2)24-15-16-29(17-24)23-13-11-22(12-14-23)27-25(30)20-5-3-18(4-6-20)19-7-9-21(26)10-8-19/h7-14,18,20,24H,3-6,15-17H2,1-2H3,(H,27,30) | Reactome pathway
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| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170406
(5-(4-Chloro-phenyl)-5-oxo-pentanoic acid [4-(3-dim...)Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)CCCC(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H28ClN3O2/c1-26(2)21-14-15-27(16-21)20-12-10-19(11-13-20)25-23(29)5-3-4-22(28)17-6-8-18(24)9-7-17/h6-13,21H,3-5,14-16H2,1-2H3,(H,25,29) | Reactome pathway
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| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170402
(4-Phenyl-cyclohexanecarboxylic acid [4-(3-dimethyl...)Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)C2CCC(CC2)c2ccccc2)cc1 |(10.24,-3.22,;10.39,-1.69,;11.79,-1.05,;9.13,-.79,;9.12,.75,;7.65,1.21,;6.77,-.05,;7.68,-1.28,;5.23,-.05,;4.46,-1.41,;2.92,-1.41,;2.13,-.08,;.59,-.09,;-.18,1.24,;.59,2.58,;-1.72,1.24,;-2.49,2.57,;-4.03,2.57,;-4.8,1.23,;-4.03,-.1,;-2.49,-.1,;-6.34,1.23,;-7.11,-.1,;-8.63,-.12,;-9.42,1.23,;-8.65,2.56,;-7.11,2.56,;2.9,1.25,;4.44,1.28,)| Show InChI InChI=1S/C25H33N3O/c1-27(2)24-16-17-28(18-24)23-14-12-22(13-15-23)26-25(29)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-7,12-15,20-21,24H,8-11,16-18H2,1-2H3,(H,26,29) | Reactome pathway
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| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170408
(CHEMBL178250 | N-[4-(3-Dimethylamino-pyrrolidin-1-...)Show SMILES COc1ccc(cc1)-c1ccc(cn1)C(=O)Nc1ccc(cc1)N1CCC(C1)N(C)C Show InChI InChI=1S/C25H28N4O2/c1-28(2)22-14-15-29(17-22)21-9-7-20(8-10-21)27-25(30)19-6-13-24(26-16-19)18-4-11-23(31-3)12-5-18/h4-13,16,22H,14-15,17H2,1-3H3,(H,27,30) | Reactome pathway
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PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170415
(Biphenyl-4-carboxylic acid {4-[3-(benzyl-methyl-am...)Show SMILES CN(Cc1ccccc1)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C31H31N3O/c1-33(22-24-8-4-2-5-9-24)30-20-21-34(23-30)29-18-16-28(17-19-29)32-31(35)27-14-12-26(13-15-27)25-10-6-3-7-11-25/h2-19,30H,20-23H2,1H3,(H,32,35) | Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170407
(CHEMBL178864 | N-[4-(3-Dimethylamino-pyrrolidin-1-...)Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2cccs2)cc1 Show InChI InChI=1S/C23H25N3OS/c1-25(2)21-13-14-26(16-21)20-11-9-19(10-12-20)24-23(27)18-7-5-17(6-8-18)22-4-3-15-28-22/h3-12,15,21H,13-14,16H2,1-2H3,(H,24,27) | Reactome pathway
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| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170399
(1-[4-(3-Dimethylamino-pyrrolidin-1-yl)-phenyl]-3-(...)Show InChI InChI=1S/C22H30N4O/c1-25(2)21-14-16-26(17-21)20-12-10-19(11-13-20)24-22(27)23-15-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-13,21H,6,9,14-17H2,1-2H3,(H2,23,24,27) | Reactome pathway
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170405
(1-[4-(3-Dimethylamino-pyrrolidin-1-yl)-phenyl]-3-[...)Show SMILES COc1ccc(CCCNC(=O)Nc2ccc(cc2)N2CCC(C2)N(C)C)cc1 Show InChI InChI=1S/C23H32N4O2/c1-26(2)21-14-16-27(17-21)20-10-8-19(9-11-20)25-23(28)24-15-4-5-18-6-12-22(29-3)13-7-18/h6-13,21H,4-5,14-17H2,1-3H3,(H2,24,25,28) | Reactome pathway
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170395
(Biphenyl-4-carboxylic acid [6-(3-methylamino-pyrro...)Show SMILES CNC1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cn1 Show InChI InChI=1S/C23H24N4O/c1-24-21-13-14-27(16-21)22-12-11-20(15-25-22)26-23(28)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15,21,24H,13-14,16H2,1H3,(H,26,28) | Reactome pathway
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| Article
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| 61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human MCH-R1 by GTPgammaS assay |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170412
(CHEMBL179345 | N-[4-(3-Dimethylamino-pyrrolidin-1-...)Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc(nc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H26N4O/c1-27(2)22-14-15-28(17-22)21-11-9-20(10-12-21)26-24(29)19-8-13-23(25-16-19)18-6-4-3-5-7-18/h3-13,16,22H,14-15,17H2,1-2H3,(H,26,29) | Reactome pathway
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PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170395
(Biphenyl-4-carboxylic acid [6-(3-methylamino-pyrro...)Show SMILES CNC1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cn1 Show InChI InChI=1S/C23H24N4O/c1-24-21-13-14-27(16-21)22-12-11-20(15-25-22)26-23(28)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15,21,24H,13-14,16H2,1H3,(H,26,28) | Reactome pathway
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PubMed
| 122 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human MCH-R1-stimulated [Ca2+] influx |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170393
(Biphenyl-4-carboxylic acid {4-[3-(methyl-pyridin-2...)Show SMILES CN(Cc1ccccn1)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C30H30N4O/c1-33(21-27-9-5-6-19-31-27)29-18-20-34(22-29)28-16-14-26(15-17-28)32-30(35)25-12-10-24(11-13-25)23-7-3-2-4-8-23/h2-17,19,29H,18,20-22H2,1H3,(H,32,35) | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170409
(5-Oxo-5-phenyl-pentanoic acid [4-(3-dimethylamino-...)Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)CCCC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H29N3O2/c1-25(2)21-15-16-26(17-21)20-13-11-19(12-14-20)24-23(28)10-6-9-22(27)18-7-4-3-5-8-18/h3-5,7-8,11-14,21H,6,9-10,15-17H2,1-2H3,(H,24,28) | Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170416
(3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-5'-carboxy...)Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc(nc2)N2CCCCC2)cc1 Show InChI InChI=1S/C23H31N5O/c1-26(2)21-12-15-28(17-21)20-9-7-19(8-10-20)25-23(29)18-6-11-22(24-16-18)27-13-4-3-5-14-27/h6-11,16,21H,3-5,12-15,17H2,1-2H3,(H,25,29) | Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170392
(Biphenyl-4-carboxylic acid {4-[3-(acetyl-methyl-am...)Show SMILES CN(C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1)C(C)=O Show InChI InChI=1S/C26H27N3O2/c1-19(30)28(2)25-16-17-29(18-25)24-14-12-23(13-15-24)27-26(31)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-15,25H,16-18H2,1-2H3,(H,27,31) | Reactome pathway
KEGG
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PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170410
(2-Biphenyl-4-yl-N-[4-(3-dimethylamino-pyrrolidin-1...)Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)Cc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C26H29N3O/c1-28(2)25-16-17-29(19-25)24-14-12-23(13-15-24)27-26(30)18-20-8-10-22(11-9-20)21-6-4-3-5-7-21/h3-15,25H,16-19H2,1-2H3,(H,27,30) | Reactome pathway
KEGG
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PC sid
UniChem
Patents
| Article
PubMed
| 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170414
(CHEMBL178731 | N-[4-(3-Dimethylamino-pyrrolidin-1-...)Show SMILES CCN1CCN(CC1)c1ccc(cn1)C(=O)Nc1ccc(cc1)N1CCC(C1)N(C)C Show InChI InChI=1S/C24H34N6O/c1-4-28-13-15-29(16-14-28)23-10-5-19(17-25-23)24(31)26-20-6-8-21(9-7-20)30-12-11-22(18-30)27(2)3/h5-10,17,22H,4,11-16,18H2,1-3H3,(H,26,31) | Reactome pathway
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UniChem
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170403
(9-Oxo-9H-fluorene-2-carboxylic acid [4-(3-dimethyl...)Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc3-c4ccccc4C(=O)c3c2)cc1 Show InChI InChI=1S/C26H25N3O2/c1-28(2)20-13-14-29(16-20)19-10-8-18(9-11-19)27-26(31)17-7-12-22-21-5-3-4-6-23(21)25(30)24(22)15-17/h3-12,15,20H,13-14,16H2,1-2H3,(H,27,31) | Reactome pathway
KEGG
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UniChem
| Article
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170398
((1-{4-[(Biphenyl-4-carbonyl)-amino]-phenyl}-pyrrol...)Show SMILES CN(C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1)C(=O)OC(C)(C)C Show InChI InChI=1S/C29H33N3O3/c1-29(2,3)35-28(34)31(4)26-18-19-32(20-26)25-16-14-24(15-17-25)30-27(33)23-12-10-22(11-13-23)21-8-6-5-7-9-21/h5-17,26H,18-20H2,1-4H3,(H,30,33) | Reactome pathway
KEGG
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UniChem
| Article
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170396
(CHEMBL175675 | N-[4-(3-Dimethylamino-pyrrolidin-1-...)Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-n2ccnc2)cc1 Show InChI InChI=1S/C22H25N5O/c1-25(2)21-11-13-26(15-21)19-9-5-18(6-10-19)24-22(28)17-3-7-20(8-4-17)27-14-12-23-16-27/h3-10,12,14,16,21H,11,13,15H2,1-2H3,(H,24,28) | Reactome pathway
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170397
(CHEMBL359707 | N-[4-(3-Dimethylamino-pyrrolidin-1-...)Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2cnco2)cc1 Show InChI InChI=1S/C22H24N4O2/c1-25(2)20-11-12-26(14-20)19-9-7-18(8-10-19)24-22(27)17-5-3-16(4-6-17)21-13-23-15-28-21/h3-10,13,15,20H,11-12,14H2,1-2H3,(H,24,27) | Reactome pathway
KEGG
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UniChem
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170394
(CHEMBL179870 | N-[4-(3-Dimethylamino-pyrrolidin-1-...)Show SMILES CN(C)C1CCN(C1)c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C25H27N3O2/c1-27(2)22-16-17-28(18-22)21-12-10-20(11-13-21)26-25(29)19-8-14-24(15-9-19)30-23-6-4-3-5-7-23/h3-15,22H,16-18H2,1-2H3,(H,26,29) | Reactome pathway
KEGG
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(Homo sapiens (Human)) | BDBM50170391
(3-Phenyl-propynoic acid [4-(3-dimethylamino-pyrrol...)Show InChI InChI=1S/C21H23N3O/c1-23(2)20-14-15-24(16-20)19-11-9-18(10-12-19)22-21(25)13-8-17-6-4-3-5-7-17/h3-7,9-12,20H,14-16H2,1-2H3,(H,22,25) | Reactome pathway
KEGG
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UniChem
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]-Tyr13]-MCH |
Bioorg Med Chem Lett 15: 3701-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.130
BindingDB Entry DOI: 10.7270/Q29W0F16 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50245811
((1S,2R)-1-(2-ethylphenoxy)-2-((methylamino)methyl)...)Show InChI InChI=1S/C19H23NO2/c1-3-14-8-5-7-11-17(14)22-18-16-10-6-4-9-15(16)12-19(18,21)13-20-2/h4-11,18,20-21H,3,12-13H2,1-2H3/t18-,19+/m0/s1 | Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells |
Bioorg Med Chem Lett 18: 6151-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.013
BindingDB Entry DOI: 10.7270/Q2JS9Q86 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50245962
((1S,2R)-1-(2,4-dimethylphenoxy)-2-((methylamino)me...)Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(C)cc1C |r| Show InChI InChI=1S/C19H23NO2/c1-13-8-9-17(14(2)10-13)22-18-16-7-5-4-6-15(16)11-19(18,21)12-20-3/h4-10,18,20-21H,11-12H2,1-3H3/t18-,19+/m0/s1 | Reactome pathway
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UniChem
Similars
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PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells |
Bioorg Med Chem Lett 18: 6151-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.013
BindingDB Entry DOI: 10.7270/Q2JS9Q86 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50245863
((1S,2R)-2-((methylamino)methyl)-1-(2-(methylthio)p...)Show InChI InChI=1S/C18H21NO2S/c1-19-12-18(20)11-13-7-3-4-8-14(13)17(18)21-15-9-5-6-10-16(15)22-2/h3-10,17,19-20H,11-12H2,1-2H3/t17-,18+/m0/s1 | Reactome pathway
KEGG
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UniChem
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PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells |
Bioorg Med Chem Lett 18: 6151-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.013
BindingDB Entry DOI: 10.7270/Q2JS9Q86 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272654
(CHEMBL526270 | N-methyl((3S,4S)-4-(2-(trifluoromet...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C18H18F3NO2/c1-22-10-16-17(13-7-3-2-6-12(13)11-23-16)24-15-9-5-4-8-14(15)18(19,20)21/h2-9,16-17,22H,10-11H2,1H3/t16-,17-/m0/s1 | Reactome pathway
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PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272655
(((3S,4S)-4-(3-fluoro-2-methylphenoxy)-3,4-dihydro-...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(F)c1C |r| Show InChI InChI=1S/C18H20FNO2/c1-12-15(19)8-5-9-16(12)22-18-14-7-4-3-6-13(14)11-21-17(18)10-20-2/h3-9,17-18,20H,10-11H2,1-2H3/t17-,18-/m0/s1 | Reactome pathway
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PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50370475
(S,S-REBOXETINE)Show SMILES CCOc1ccccc1O[C@H]([C@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19+/m1/s1 | Reactome pathway
KEGG
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PC cid
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PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50245963
((1S,2R)-1-(3-fluoro-2-methylphenoxy)-2-((methylami...)Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(F)c1C |r| Show InChI InChI=1S/C18H20FNO2/c1-12-15(19)8-5-9-16(12)22-17-14-7-4-3-6-13(14)10-18(17,21)11-20-2/h3-9,17,20-21H,10-11H2,1-2H3/t17-,18+/m0/s1 | Reactome pathway
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells |
Bioorg Med Chem Lett 18: 6151-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.013
BindingDB Entry DOI: 10.7270/Q2JS9Q86 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50245961
((1S,2R)-1-(2,3-dimethylphenoxy)-2-((methylamino)me...)Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(C)c1C |r| Show InChI InChI=1S/C19H23NO2/c1-13-7-6-10-17(14(13)2)22-18-16-9-5-4-8-15(16)11-19(18,21)12-20-3/h4-10,18,20-21H,11-12H2,1-3H3/t18-,19+/m0/s1 | Reactome pathway
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells |
Bioorg Med Chem Lett 18: 6151-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.013
BindingDB Entry DOI: 10.7270/Q2JS9Q86 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50246494
((1S,2R)-2-((methylamino)methyl)-1-(o-tolyloxy)-2,3...)Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-17-15-9-5-4-8-14(15)11-18(17,20)12-19-2/h3-10,17,19-20H,11-12H2,1-2H3/t17-,18+/m0/s1 | Reactome pathway
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Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells |
Bioorg Med Chem Lett 18: 6151-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.013
BindingDB Entry DOI: 10.7270/Q2JS9Q86 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50246491
((1S,2R)-2-((methylamino)methyl)-1-(2-(naphthalen-1...)Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1-c1cccc2ccccc12 |r| Show InChI InChI=1S/C27H25NO2/c1-28-18-27(29)17-20-10-3-5-13-22(20)26(27)30-25-16-7-6-14-24(25)23-15-8-11-19-9-2-4-12-21(19)23/h2-16,26,28-29H,17-18H2,1H3/t26-,27+/m0/s1 | Reactome pathway
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells |
Bioorg Med Chem Lett 18: 6151-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.013
BindingDB Entry DOI: 10.7270/Q2JS9Q86 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272730
(((3S,4S)-4-(2-fluoro-6-(trifluoromethyl)phenoxy)-3...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1c(F)cccc1C(F)(F)F |r| Show InChI InChI=1S/C18H17F4NO2/c1-23-9-15-16(12-6-3-2-5-11(12)10-24-15)25-17-13(18(20,21)22)7-4-8-14(17)19/h2-8,15-16,23H,9-10H2,1H3/t15-,16-/m0/s1 | Reactome pathway
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK cells |
Bioorg Med Chem Lett 18: 4495-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.050
BindingDB Entry DOI: 10.7270/Q2VH5NP8 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50246014
((1S,2R)-1-(4-hydroxy-2-methylphenoxy)-2-((methylam...)Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(O)cc1C |r| Show InChI InChI=1S/C18H21NO3/c1-12-9-14(20)7-8-16(12)22-17-15-6-4-3-5-13(15)10-18(17,21)11-19-2/h3-9,17,19-21H,10-11H2,1-2H3/t17-,18+/m0/s1 | Reactome pathway
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells |
Bioorg Med Chem Lett 18: 6151-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.013
BindingDB Entry DOI: 10.7270/Q2JS9Q86 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50246013
((1S,2R)-1-(3-hydroxy-2-methylphenoxy)-2-((methylam...)Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(O)c1C |r| Show InChI InChI=1S/C18H21NO3/c1-12-15(20)8-5-9-16(12)22-17-14-7-4-3-6-13(14)10-18(17,21)11-19-2/h3-9,17,19-21H,10-11H2,1-2H3/t17-,18+/m0/s1 | Reactome pathway
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells |
Bioorg Med Chem Lett 18: 6151-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.013
BindingDB Entry DOI: 10.7270/Q2JS9Q86 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272730
(((3S,4S)-4-(2-fluoro-6-(trifluoromethyl)phenoxy)-3...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1c(F)cccc1C(F)(F)F |r| Show InChI InChI=1S/C18H17F4NO2/c1-23-9-15-16(12-6-3-2-5-11(12)10-24-15)25-17-13(18(20,21)22)7-4-8-14(17)19/h2-8,15-16,23H,9-10H2,1H3/t15-,16-/m0/s1 | Reactome pathway
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272728
(((3S,4S)-4-(2-fluoro-6-methylphenoxy)-3,4-dihydro-...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1c(C)cccc1F |r| Show InChI InChI=1S/C18H20FNO2/c1-12-6-5-9-15(19)17(12)22-18-14-8-4-3-7-13(14)11-21-16(18)10-20-2/h3-9,16,18,20H,10-11H2,1-2H3/t16-,18-/m0/s1 | Reactome pathway
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50366567
(ATOMOXETINE)Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1 | Reactome pathway
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50022784
((R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine...)Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3 | Reactome pathway
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK cells |
Bioorg Med Chem Lett 18: 4495-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.050
BindingDB Entry DOI: 10.7270/Q2VH5NP8 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50245962
((1S,2R)-1-(2,4-dimethylphenoxy)-2-((methylamino)me...)Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(C)cc1C |r| Show InChI InChI=1S/C19H23NO2/c1-13-8-9-17(14(2)10-13)22-18-16-7-5-4-6-15(16)11-19(18,21)12-20-3/h4-10,18,20-21H,11-12H2,1-3H3/t18-,19+/m0/s1 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT transfected in HEK cells |
Bioorg Med Chem Lett 18: 6151-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.013
BindingDB Entry DOI: 10.7270/Q2JS9Q86 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50246012
((1S,2R)-1-(2-fluoro-6-methylphenoxy)-2-((methylami...)Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1c(C)cccc1F |r| Show InChI InChI=1S/C18H20FNO2/c1-12-6-5-9-15(19)16(12)22-17-14-8-4-3-7-13(14)10-18(17,21)11-20-2/h3-9,17,20-21H,10-11H2,1-2H3/t17-,18+/m0/s1 | Reactome pathway
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells |
Bioorg Med Chem Lett 18: 6151-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.013
BindingDB Entry DOI: 10.7270/Q2JS9Q86 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50245964
((1S,2R)-1-(4-fluoro-2-methylphenoxy)-2-((methylami...)Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(F)cc1C |r| Show InChI InChI=1S/C18H20FNO2/c1-12-9-14(19)7-8-16(12)22-17-15-6-4-3-5-13(15)10-18(17,21)11-20-2/h3-9,17,20-21H,10-11H2,1-2H3/t17-,18+/m0/s1 | Reactome pathway
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells |
Bioorg Med Chem Lett 18: 6151-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.013
BindingDB Entry DOI: 10.7270/Q2JS9Q86 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50366567
(ATOMOXETINE)Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1 | Reactome pathway
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Article
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells |
Bioorg Med Chem Lett 18: 4224-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4 |
More data for this
Ligand-Target Pair | |
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