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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Melanin-concentrating hormone receptor 1' and Ligand = 'BDBM50177281'   
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))
BDBM50177281
PNG
(CHEMBL379693 | N-(2-((2-(dimethylamino)ethyl)(meth...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C24H27F3N4O3/c1-16-13-22(31(4)12-11-30(2)3)29-21-10-5-17(14-20(16)21)28-23(32)15-33-18-6-8-19(9-7-18)34-24(25,26)27/h5-10,13-14H,11-12,15H2,1-4H3,(H,28,32)
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Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1 receptor expressed in CHO cell by WC assay


Bioorg Med Chem Lett 16: 1070-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50177281
PNG
(CHEMBL379693 | N-(2-((2-(dimethylamino)ethyl)(meth...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C24H27F3N4O3/c1-16-13-22(31(4)12-11-30(2)3)29-21-10-5-17(14-20(16)21)28-23(32)15-33-18-6-8-19(9-7-18)34-24(25,26)27/h5-10,13-14H,11-12,15H2,1-4H3,(H,28,32)
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human MCH1 receptor by SPA assay


Bioorg Med Chem Lett 16: 1070-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50177281
PNG
(CHEMBL379693 | N-(2-((2-(dimethylamino)ethyl)(meth...)
Show SMILES CN(C)CCN(C)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show InChI InChI=1S/C24H27F3N4O3/c1-16-13-22(31(4)12-11-30(2)3)29-21-10-5-17(14-20(16)21)28-23(32)15-33-18-6-8-19(9-7-18)34-24(25,26)27/h5-10,13-14H,11-12,15H2,1-4H3,(H,28,32)
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PC sid
UniChem

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Article
PubMed
n/an/a 31n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]myo-inositol from human MCH1 receptor expressed in CHO cell by IP3 assay


Bioorg Med Chem Lett 16: 1070-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.066
BindingDB Entry DOI: 10.7270/Q2G73D82
More data for this
Ligand-Target Pair