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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Melanin-concentrating hormone receptor 1' and Ligand = 'BDBM50295690'   
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))
BDBM50295690
PNG
((+/-)-2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluor...)
Show SMILES CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc21)C(=O)C(N1CCN(CC1=O)S(C)(=O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H37F3N4O5S/c1-3-35(12-4-11-34-13-9-30(10-14-34)24-18-23(31)7-5-22(24)20-42-30)29(39)28(21-6-8-25(32)26(33)17-21)37-16-15-36(19-27(37)38)43(2,40)41/h5-8,17-18,28H,3-4,9-16,19-20H2,1-2H3
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0.180n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R expressed in CHO cells by scintillation counting per mg of protein


Bioorg Med Chem Lett 19: 2835-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.102
BindingDB Entry DOI: 10.7270/Q2R49QS7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50295690
PNG
((+/-)-2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluor...)
Show SMILES CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc21)C(=O)C(N1CCN(CC1=O)S(C)(=O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H37F3N4O5S/c1-3-35(12-4-11-34-13-9-30(10-14-34)24-18-23(31)7-5-22(24)20-42-30)29(39)28(21-6-8-25(32)26(33)17-21)37-16-15-36(19-27(37)38)43(2,40)41/h5-8,17-18,28H,3-4,9-16,19-20H2,1-2H3
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0.420n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S] 4-(1-(3,4-difluorophenyl)-2-(ethyl(3-(6-fluoro-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)amino)-2-oxoethyl)-3-oxopip...


Bioorg Med Chem Lett 19: 2835-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.102
BindingDB Entry DOI: 10.7270/Q2R49QS7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Mus musculus)
BDBM50295690
PNG
((+/-)-2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluor...)
Show SMILES CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc21)C(=O)C(N1CCN(CC1=O)S(C)(=O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H37F3N4O5S/c1-3-35(12-4-11-34-13-9-30(10-14-34)24-18-23(31)7-5-22(24)20-42-30)29(39)28(21-6-8-25(32)26(33)17-21)37-16-15-36(19-27(37)38)43(2,40)41/h5-8,17-18,28H,3-4,9-16,19-20H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S] 4-(1-(3,4-difluorophenyl)-2-(ethyl(3-(6-fluoro-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-yl)propyl)amino)-2-oxoethyl)-3-oxopip...


Bioorg Med Chem Lett 19: 2835-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.102
BindingDB Entry DOI: 10.7270/Q2R49QS7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50295690
PNG
((+/-)-2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluor...)
Show SMILES CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc21)C(=O)C(N1CCN(CC1=O)S(C)(=O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H37F3N4O5S/c1-3-35(12-4-11-34-13-9-30(10-14-34)24-18-23(31)7-5-22(24)20-42-30)29(39)28(21-6-8-25(32)26(33)17-21)37-16-15-36(19-27(37)38)43(2,40)41/h5-8,17-18,28H,3-4,9-16,19-20H2,1-2H3
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n/an/a 0.360n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of[125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 2835-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.102
BindingDB Entry DOI: 10.7270/Q2R49QS7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50295690
PNG
((+/-)-2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluor...)
Show SMILES CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc21)C(=O)C(N1CCN(CC1=O)S(C)(=O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H37F3N4O5S/c1-3-35(12-4-11-34-13-9-30(10-14-34)24-18-23(31)7-5-22(24)20-42-30)29(39)28(21-6-8-25(32)26(33)17-21)37-16-15-36(19-27(37)38)43(2,40)41/h5-8,17-18,28H,3-4,9-16,19-20H2,1-2H3
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n/an/a 0.360n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50295690
PNG
((+/-)-2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluor...)
Show SMILES CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc21)C(=O)C(N1CCN(CC1=O)S(C)(=O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H37F3N4O5S/c1-3-35(12-4-11-34-13-9-30(10-14-34)24-18-23(31)7-5-22(24)20-42-30)29(39)28(21-6-8-25(32)26(33)17-21)37-16-15-36(19-27(37)38)43(2,40)41/h5-8,17-18,28H,3-4,9-16,19-20H2,1-2H3
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n/an/a 0.710n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of[125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 2835-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.102
BindingDB Entry DOI: 10.7270/Q2R49QS7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50295690
PNG
((+/-)-2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluor...)
Show SMILES CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc21)C(=O)C(N1CCN(CC1=O)S(C)(=O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H37F3N4O5S/c1-3-35(12-4-11-34-13-9-30(10-14-34)24-18-23(31)7-5-22(24)20-42-30)29(39)28(21-6-8-25(32)26(33)17-21)37-16-15-36(19-27(37)38)43(2,40)41/h5-8,17-18,28H,3-4,9-16,19-20H2,1-2H3
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n/an/a 0.710n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of[125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 2835-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.102
BindingDB Entry DOI: 10.7270/Q2R49QS7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50295690
PNG
((+/-)-2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluor...)
Show SMILES CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc21)C(=O)C(N1CCN(CC1=O)S(C)(=O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H37F3N4O5S/c1-3-35(12-4-11-34-13-9-30(10-14-34)24-18-23(31)7-5-22(24)20-42-30)29(39)28(21-6-8-25(32)26(33)17-21)37-16-15-36(19-27(37)38)43(2,40)41/h5-8,17-18,28H,3-4,9-16,19-20H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human MCH1R expressed in CHO cells assessed as inhibition of MCH-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 2835-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.102
BindingDB Entry DOI: 10.7270/Q2R49QS7
More data for this
Ligand-Target Pair