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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Melanin-concentrating hormone receptor 1' and Ligand = 'BDBM50301708'   
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))
BDBM50301708
PNG
((Z)-1'-((6-((3,4-difluorophenyl)(ethoxyimino)methy...)
Show SMILES CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cn(C)c(=O)cc32)cn1
Show InChI InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-13-25(34)32(2)16-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26-
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Article
PubMed
n/an/a 6.80n/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


(RAT)
BDBM50301708
PNG
((Z)-1'-((6-((3,4-difluorophenyl)(ethoxyimino)methy...)
Show SMILES CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cn(C)c(=O)cc32)cn1
Show InChI InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-13-25(34)32(2)16-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26-
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Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat MCH1R receptor


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


(Mus musculus)
BDBM50301708
PNG
((Z)-1'-((6-((3,4-difluorophenyl)(ethoxyimino)methy...)
Show SMILES CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cn(C)c(=O)cc32)cn1
Show InChI InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-13-25(34)32(2)16-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26-
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n/an/a 12n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse MCH1R receptor


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))
BDBM50301708
PNG
((Z)-1'-((6-((3,4-difluorophenyl)(ethoxyimino)methy...)
Show SMILES CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cn(C)c(=O)cc32)cn1
Show InChI InChI=1S/C27H28F2N4O3/c1-3-36-31-26(19-5-6-22(28)23(29)12-19)24-7-4-18(14-30-24)15-33-10-8-27(9-11-33)21-13-25(34)32(2)16-20(21)17-35-27/h4-7,12-14,16H,3,8-11,15,17H2,1-2H3/b31-26-
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Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


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