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Compile Data Set for Download or QSAR

Found 2731 hits with Last Name = 'van staden' and Initial = 'c'   
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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192518
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34)
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2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50192518
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34)
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3.30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192518
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34)
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4.70n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192518
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34)
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13n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human MCHR1 expressed in CHOK1-Gqi cells assessed as inhibition of MCH-induced calcium ion release by FLIPR assay


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192518
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34)
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13n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at rat MCHR1 expressed in CHOK1-Gqi cells assessed as inhibition of MCH-induced calcium ion release by FLIPR assay


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50192518
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34)
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14n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at mouse MCHR1 expressed in CHOK1-Gqi cells assessed as inhibition of MCH-induced calcium ion release by FLIPR assay


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192528
PNG
(1-(2-(4-fluoro-3-methylphenoxy)-5-((2-(pyrrolidin-...)
Show SMILES Cc1cc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)ccc1F
Show InChI InChI=1S/C27H28F2N4O3/c1-18-15-22(8-9-23(18)29)36-25-10-7-19(26(34)30-11-14-33-12-2-3-13-33)16-24(25)32-27(35)31-21-6-4-5-20(28)17-21/h4-10,15-17H,2-3,11-14H2,1H3,(H,30,34)(H2,31,32,35)
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n/an/a 0.100n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192536
PNG
(1-(2-(3,4-difluorophenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Fc1cccc(NC(=O)Nc2cc(ccc2Oc2ccc(F)c(F)c2)C(=O)NCCN2CCCC2)c1
Show InChI InChI=1S/C26H25F3N4O3/c27-18-4-3-5-19(15-18)31-26(35)32-23-14-17(25(34)30-10-13-33-11-1-2-12-33)6-9-24(23)36-20-7-8-21(28)22(29)16-20/h3-9,14-16H,1-2,10-13H2,(H,30,34)(H2,31,32,35)
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n/an/a 1.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192534
PNG
(1-(5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)-2-(p-to...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)cc1
Show InChI InChI=1S/C27H29FN4O3/c1-19-7-10-23(11-8-19)35-25-12-9-20(26(33)29-13-16-32-14-2-3-15-32)17-24(25)31-27(34)30-22-6-4-5-21(28)18-22/h4-12,17-18H,2-3,13-16H2,1H3,(H,29,33)(H2,30,31,34)
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192521
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H31FN4O3/c1-19-8-10-24(16-20(19)2)36-26-11-9-21(27(34)30-12-15-33-13-3-4-14-33)17-25(26)32-28(35)31-23-7-5-6-22(29)18-23/h5-11,16-18H,3-4,12-15H2,1-2H3,(H,30,34)(H2,31,32,35)
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192535
PNG
(1-(5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)-2-(m-to...)
Show SMILES Cc1cccc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)c1
Show InChI InChI=1S/C27H29FN4O3/c1-19-6-4-9-23(16-19)35-25-11-10-20(26(33)29-12-15-32-13-2-3-14-32)17-24(25)31-27(34)30-22-8-5-7-21(28)18-22/h4-11,16-18H,2-3,12-15H2,1H3,(H,29,33)(H2,30,31,34)
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n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192521
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H31FN4O3/c1-19-8-10-24(16-20(19)2)36-26-11-9-21(27(34)30-12-15-33-13-3-4-14-33)17-25(26)32-28(35)31-23-7-5-6-22(29)18-23/h5-11,16-18H,3-4,12-15H2,1-2H3,(H,30,34)(H2,31,32,35)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192518
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34)
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192522
PNG
(1-(4-bromophenyl)-3-(2-(3,4-dimethylphenoxy)-5-((2...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccc(Br)cc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H31BrN4O3/c1-19-5-11-24(17-20(19)2)36-26-12-6-21(27(34)30-13-16-33-14-3-4-15-33)18-25(26)32-28(35)31-23-9-7-22(29)8-10-23/h5-12,17-18H,3-4,13-16H2,1-2H3,(H,30,34)(H2,31,32,35)
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50192518
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34)
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n/an/a 5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192528
PNG
(1-(2-(4-fluoro-3-methylphenoxy)-5-((2-(pyrrolidin-...)
Show SMILES Cc1cc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)ccc1F
Show InChI InChI=1S/C27H28F2N4O3/c1-18-15-22(8-9-23(18)29)36-25-10-7-19(26(34)30-11-14-33-12-2-3-13-33)16-24(25)32-27(35)31-21-6-4-5-20(28)17-21/h4-10,15-17H,2-3,11-14H2,1H3,(H,30,34)(H2,31,32,35)
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50192531
PNG
(1-(2-chlorophenyl)-3-(2-(3,4-dimethylphenoxy)-5-((...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2Cl)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H31ClN4O3/c1-19-9-11-22(17-20(19)2)36-26-12-10-21(27(34)30-13-16-33-14-5-6-15-33)18-25(26)32-28(35)31-24-8-4-3-7-23(24)29/h3-4,7-12,17-18H,5-6,13-16H2,1-2H3,(H,30,34)(H2,31,32,35)
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192518
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H32N4O3/c1-20-10-12-24(18-21(20)2)35-26-13-11-22(27(33)29-14-17-32-15-6-7-16-32)19-25(26)31-28(34)30-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,33)(H2,30,31,34)
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192535
PNG
(1-(5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)-2-(m-to...)
Show SMILES Cc1cccc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)c1
Show InChI InChI=1S/C27H29FN4O3/c1-19-6-4-9-23(16-19)35-25-11-10-20(26(33)29-12-15-32-13-2-3-14-32)17-24(25)31-27(34)30-22-8-5-7-21(28)18-22/h4-11,16-18H,2-3,12-15H2,1H3,(H,29,33)(H2,30,31,34)
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n/an/a 7n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192516
PNG
(1-(2-(3-fluorophenoxy)-5-((2-(pyrrolidin-1-yl)ethy...)
Show SMILES Fc1cccc(NC(=O)Nc2cc(ccc2Oc2cccc(F)c2)C(=O)NCCN2CCCC2)c1
Show InChI InChI=1S/C26H26F2N4O3/c27-19-5-3-7-21(16-19)30-26(34)31-23-15-18(25(33)29-11-14-32-12-1-2-13-32)9-10-24(23)35-22-8-4-6-20(28)17-22/h3-10,15-17H,1-2,11-14H2,(H,29,33)(H2,30,31,34)
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n/an/a 9n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192522
PNG
(1-(4-bromophenyl)-3-(2-(3,4-dimethylphenoxy)-5-((2...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccc(Br)cc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H31BrN4O3/c1-19-5-11-24(17-20(19)2)36-26-12-6-21(27(34)30-13-16-33-14-3-4-15-33)18-25(26)32-28(35)31-23-9-7-22(29)8-10-23/h5-12,17-18H,3-4,13-16H2,1-2H3,(H,30,34)(H2,31,32,35)
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192531
PNG
(1-(2-chlorophenyl)-3-(2-(3,4-dimethylphenoxy)-5-((...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2Cl)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H31ClN4O3/c1-19-9-11-22(17-20(19)2)36-26-12-10-21(27(34)30-13-16-33-14-5-6-15-33)18-25(26)32-28(35)31-24-8-4-3-7-23(24)29/h3-4,7-12,17-18H,5-6,13-16H2,1-2H3,(H,30,34)(H2,31,32,35)
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n/an/a 14n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192531
PNG
(1-(2-chlorophenyl)-3-(2-(3,4-dimethylphenoxy)-5-((...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccccc2Cl)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H31ClN4O3/c1-19-9-11-22(17-20(19)2)36-26-12-10-21(27(34)30-13-16-33-14-5-6-15-33)18-25(26)32-28(35)31-24-8-4-3-7-23(24)29/h3-4,7-12,17-18H,5-6,13-16H2,1-2H3,(H,30,34)(H2,31,32,35)
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n/an/a 15n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50192522
PNG
(1-(4-bromophenyl)-3-(2-(3,4-dimethylphenoxy)-5-((2...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccc(Br)cc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H31BrN4O3/c1-19-5-11-24(17-20(19)2)36-26-12-6-21(27(34)30-13-16-33-14-3-4-15-33)18-25(26)32-28(35)31-23-9-7-22(29)8-10-23/h5-12,17-18H,3-4,13-16H2,1-2H3,(H,30,34)(H2,31,32,35)
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n/an/a 28n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192536
PNG
(1-(2-(3,4-difluorophenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Fc1cccc(NC(=O)Nc2cc(ccc2Oc2ccc(F)c(F)c2)C(=O)NCCN2CCCC2)c1
Show InChI InChI=1S/C26H25F3N4O3/c27-18-4-3-5-19(15-18)31-26(35)32-23-14-17(25(34)30-10-13-33-11-1-2-12-33)6-9-24(23)36-20-7-8-21(28)22(29)16-20/h3-9,14-16H,1-2,10-13H2,(H,30,34)(H2,31,32,35)
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n/an/a 28n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192534
PNG
(1-(5-((2-(pyrrolidin-1-yl)ethyl)carbamoyl)-2-(p-to...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2cccc(F)c2)C(=O)NCCN2CCCC2)cc1
Show InChI InChI=1S/C27H29FN4O3/c1-19-7-10-23(11-8-19)35-25-12-9-20(26(33)29-13-16-32-14-2-3-15-32)17-24(25)31-27(34)30-22-6-4-5-21(28)18-22/h4-12,17-18H,2-3,13-16H2,1H3,(H,29,33)(H2,30,31,34)
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n/an/a 33n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192516
PNG
(1-(2-(3-fluorophenoxy)-5-((2-(pyrrolidin-1-yl)ethy...)
Show SMILES Fc1cccc(NC(=O)Nc2cc(ccc2Oc2cccc(F)c2)C(=O)NCCN2CCCC2)c1
Show InChI InChI=1S/C26H26F2N4O3/c27-19-5-3-7-21(16-19)30-26(34)31-23-15-18(25(33)29-11-14-32-12-1-2-13-32)9-10-24(23)35-22-8-4-6-20(28)17-22/h3-10,15-17H,1-2,11-14H2,(H,29,33)(H2,30,31,34)
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n/an/a 40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192526
PNG
(3-(3-biphenyl-4-yl-ureido)-4-(3,4-dimethyl-phenoxy...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccc(cc2)-c2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C34H36N4O3/c1-24-10-16-30(22-25(24)2)41-32-17-13-28(33(39)35-18-21-38-19-6-7-20-38)23-31(32)37-34(40)36-29-14-11-27(12-15-29)26-8-4-3-5-9-26/h3-5,8-17,22-23H,6-7,18-21H2,1-2H3,(H,35,39)(H2,36,37,40)
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n/an/a 140n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192527
PNG
(3-cinnamamido-4-(3,4-dimethylphenoxy)-N-(2-(pyrrol...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)\C=C\c2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C30H33N3O3/c1-22-10-13-26(20-23(22)2)36-28-14-12-25(30(35)31-16-19-33-17-6-7-18-33)21-27(28)32-29(34)15-11-24-8-4-3-5-9-24/h3-5,8-15,20-21H,6-7,16-19H2,1-2H3,(H,31,35)(H,32,34)/b15-11+
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n/an/a 170n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192530
PNG
(4-(3,4-dimethylphenoxy)-3-((1R,2R)-2-phenylcyclopr...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)[C@@H]2C[C@H]2c2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C31H35N3O3/c1-21-10-12-25(18-22(21)2)37-29-13-11-24(30(35)32-14-17-34-15-6-7-16-34)19-28(29)33-31(36)27-20-26(27)23-8-4-3-5-9-23/h3-5,8-13,18-19,26-27H,6-7,14-17,20H2,1-2H3,(H,32,35)(H,33,36)/t26-,27+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50192527
PNG
(3-cinnamamido-4-(3,4-dimethylphenoxy)-N-(2-(pyrrol...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)\C=C\c2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C30H33N3O3/c1-22-10-13-26(20-23(22)2)36-28-14-12-25(30(35)31-16-19-33-17-6-7-18-33)21-27(28)32-29(34)15-11-24-8-4-3-5-9-24/h3-5,8-15,20-21H,6-7,16-19H2,1-2H3,(H,31,35)(H,32,34)/b15-11+
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n/an/a 230n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192532
PNG
(4-(3,4-dimethylphenoxy)-3-(3-phenylpropanamido)-N-...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)CCc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C30H35N3O3/c1-22-10-13-26(20-23(22)2)36-28-14-12-25(30(35)31-16-19-33-17-6-7-18-33)21-27(28)32-29(34)15-11-24-8-4-3-5-9-24/h3-5,8-10,12-14,20-21H,6-7,11,15-19H2,1-2H3,(H,31,35)(H,32,34)
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n/an/a 250n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192526
PNG
(3-(3-biphenyl-4-yl-ureido)-4-(3,4-dimethyl-phenoxy...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccc(cc2)-c2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C34H36N4O3/c1-24-10-16-30(22-25(24)2)41-32-17-13-28(33(39)35-18-21-38-19-6-7-20-38)23-31(32)37-34(40)36-29-14-11-27(12-15-29)26-8-4-3-5-9-26/h3-5,8-17,22-23H,6-7,18-21H2,1-2H3,(H,35,39)(H2,36,37,40)
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n/an/a 260n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192530
PNG
(4-(3,4-dimethylphenoxy)-3-((1R,2R)-2-phenylcyclopr...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)[C@@H]2C[C@H]2c2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C31H35N3O3/c1-21-10-12-25(18-22(21)2)37-29-13-11-24(30(35)32-14-17-34-15-6-7-16-34)19-28(29)33-31(36)27-20-26(27)23-8-4-3-5-9-23/h3-5,8-13,18-19,26-27H,6-7,14-17,20H2,1-2H3,(H,32,35)(H,33,36)/t26-,27+/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192532
PNG
(4-(3,4-dimethylphenoxy)-3-(3-phenylpropanamido)-N-...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)CCc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C30H35N3O3/c1-22-10-13-26(20-23(22)2)36-28-14-12-25(30(35)31-16-19-33-17-6-7-18-33)21-27(28)32-29(34)15-11-24-8-4-3-5-9-24/h3-5,8-10,12-14,20-21H,6-7,11,15-19H2,1-2H3,(H,31,35)(H,32,34)
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n/an/a 330n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192533
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C34H36N4O4/c1-24-10-14-30(22-25(24)2)42-32-17-11-26(33(39)35-18-21-38-19-6-7-20-38)23-31(32)37-34(40)36-27-12-15-29(16-13-27)41-28-8-4-3-5-9-28/h3-5,8-17,22-23H,6-7,18-21H2,1-2H3,(H,35,39)(H2,36,37,40)
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n/an/a 340n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50192520
PNG
(4-(naphthalen-2-yloxy)-3-(3-phenylpropanamido)-N-(...)
Show SMILES O=C(CCc1ccccc1)Nc1cc(ccc1Oc1ccc2ccccc2c1)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C32H33N3O3/c36-31(17-12-24-8-2-1-3-9-24)34-29-23-27(32(37)33-18-21-35-19-6-7-20-35)14-16-30(29)38-28-15-13-25-10-4-5-11-26(25)22-28/h1-5,8-11,13-16,22-23H,6-7,12,17-21H2,(H,33,37)(H,34,36)
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n/an/a 340n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192520
PNG
(4-(naphthalen-2-yloxy)-3-(3-phenylpropanamido)-N-(...)
Show SMILES O=C(CCc1ccccc1)Nc1cc(ccc1Oc1ccc2ccccc2c1)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C32H33N3O3/c36-31(17-12-24-8-2-1-3-9-24)34-29-23-27(32(37)33-18-21-35-19-6-7-20-35)14-16-30(29)38-28-15-13-25-10-4-5-11-26(25)22-28/h1-5,8-11,13-16,22-23H,6-7,12,17-21H2,(H,33,37)(H,34,36)
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n/an/a 380n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50103521
PNG
(Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...)
Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
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n/an/a 400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit C-C chemokine receptor type 3 receptor


Toxicol Sci 118: 485-500 (2010)


Article DOI: 10.1093/toxsci/kfq269
BindingDB Entry DOI: 10.7270/Q26Q20JN
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50103521
PNG
(Actos | CHEBI:8228 | Duetact | Pioglitazone | US10...)
Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
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n/an/a 400n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50192526
PNG
(3-(3-biphenyl-4-yl-ureido)-4-(3,4-dimethyl-phenoxy...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccc(cc2)-c2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C34H36N4O3/c1-24-10-16-30(22-25(24)2)41-32-17-13-28(33(39)35-18-21-38-19-6-7-20-38)23-31(32)37-34(40)36-29-14-11-27(12-15-29)26-8-4-3-5-9-26/h3-5,8-17,22-23H,6-7,18-21H2,1-2H3,(H,35,39)(H2,36,37,40)
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n/an/a 400n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50192533
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C34H36N4O4/c1-24-10-14-30(22-25(24)2)42-32-17-11-26(33(39)35-18-21-38-19-6-7-20-38)23-31(32)37-34(40)36-27-12-15-29(16-13-27)41-28-8-4-3-5-9-28/h3-5,8-17,22-23H,6-7,18-21H2,1-2H3,(H,35,39)(H2,36,37,40)
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n/an/a 460n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192527
PNG
(3-cinnamamido-4-(3,4-dimethylphenoxy)-N-(2-(pyrrol...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)\C=C\c2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C30H33N3O3/c1-22-10-13-26(20-23(22)2)36-28-14-12-25(30(35)31-16-19-33-17-6-7-18-33)21-27(28)32-29(34)15-11-24-8-4-3-5-9-24/h3-5,8-15,20-21H,6-7,16-19H2,1-2H3,(H,31,35)(H,32,34)/b15-11+
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n/an/a 540n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to human MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192520
PNG
(4-(naphthalen-2-yloxy)-3-(3-phenylpropanamido)-N-(...)
Show SMILES O=C(CCc1ccccc1)Nc1cc(ccc1Oc1ccc2ccccc2c1)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C32H33N3O3/c36-31(17-12-24-8-2-1-3-9-24)34-29-23-27(32(37)33-18-21-35-19-6-7-20-35)14-16-30(29)38-28-15-13-25-10-4-5-11-26(25)22-28/h1-5,8-11,13-16,22-23H,6-7,12,17-21H2,(H,33,37)(H,34,36)
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n/an/a 540n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50192532
PNG
(4-(3,4-dimethylphenoxy)-3-(3-phenylpropanamido)-N-...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)CCc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C30H35N3O3/c1-22-10-13-26(20-23(22)2)36-28-14-12-25(30(35)31-16-19-33-17-6-7-18-33)21-27(28)32-29(34)15-11-24-8-4-3-5-9-24/h3-5,8-10,12-14,20-21H,6-7,11,15-19H2,1-2H3,(H,31,35)(H,32,34)
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n/an/a 610n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50192533
PNG
(1-(2-(3,4-dimethylphenoxy)-5-((2-(pyrrolidin-1-yl)...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Nc2ccc(Oc3ccccc3)cc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C34H36N4O4/c1-24-10-14-30(22-25(24)2)42-32-17-11-26(33(39)35-18-21-38-19-6-7-20-38)23-31(32)37-34(40)36-27-12-15-29(16-13-27)41-28-8-4-3-5-9-28/h3-5,8-17,22-23H,6-7,18-21H2,1-2H3,(H,35,39)(H2,36,37,40)
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n/an/a 610n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to rat MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...


Toxicol Sci 118: 485-500 (2010)


Article DOI: 10.1093/toxsci/kfq269
BindingDB Entry DOI: 10.7270/Q26Q20JN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50192523
PNG
(CHEMBL385215 | N-(2-aminoethyl)-4-(3,4-dimethylphe...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)CCc2ccccc2)C(=O)NCCN)cc1C
Show InChI InChI=1S/C26H29N3O3/c1-18-8-11-22(16-19(18)2)32-24-12-10-21(26(31)28-15-14-27)17-23(24)29-25(30)13-9-20-6-4-3-5-7-20/h3-8,10-12,16-17H,9,13-15,27H2,1-2H3,(H,28,31)(H,29,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50192515
PNG
(CHEMBL384247 | phenyl 2-(3,4-dimethylphenoxy)-5-((...)
Show SMILES Cc1ccc(Oc2ccc(cc2NC(=O)Oc2ccccc2)C(=O)NCCN2CCCC2)cc1C
Show InChI InChI=1S/C28H31N3O4/c1-20-10-12-24(18-21(20)2)34-26-13-11-22(27(32)29-14-17-31-15-6-7-16-31)19-25(26)30-28(33)35-23-8-4-3-5-9-23/h3-5,8-13,18-19H,6-7,14-17H2,1-2H3,(H,29,32)(H,30,33)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of [125I]MCH binding to mouse MCHR1 expressed in HEK293 cells by HT-SPA


Bioorg Med Chem Lett 16: 5066-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.040
BindingDB Entry DOI: 10.7270/Q2FJ2GD3
More data for this
Ligand-Target Pair
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