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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 = 'BDBM50153203'   
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))
BDBM50153203
PNG
(CHEMBL187854 | N-(2-Diethylamino-ethyl)-2-methoxy-...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1OC
Show InChI InChI=1S/C22H27F3N4O3/c1-4-29(5-2)13-12-26-20(30)18-11-10-17(14-19(18)32-3)28-21(31)27-16-8-6-15(7-9-16)22(23,24)25/h6-11,14H,4-5,12-13H2,1-3H3,(H,26,30)(H2,27,28,31)
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Binding affinity against human Melanin-concentrating hormone receptor 1 stably transfected CHO cells was determined using [125I]-MCH as radioligand


Bioorg Med Chem Lett 14: 5075-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.077
BindingDB Entry DOI: 10.7270/Q2CF9PKT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50153203
PNG
(CHEMBL187854 | N-(2-Diethylamino-ethyl)-2-methoxy-...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1OC
Show InChI InChI=1S/C22H27F3N4O3/c1-4-29(5-2)13-12-26-20(30)18-11-10-17(14-19(18)32-3)28-21(31)27-16-8-6-15(7-9-16)22(23,24)25/h6-11,14H,4-5,12-13H2,1-3H3,(H,26,30)(H2,27,28,31)
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PC sid
UniChem

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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Binding affinity against human Melanin-concentrating hormone receptor 1 stably transfected CHO cells was determined using scintillation proximity ass...


Bioorg Med Chem Lett 14: 5075-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.077
BindingDB Entry DOI: 10.7270/Q2CF9PKT
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50153203
PNG
(CHEMBL187854 | N-(2-Diethylamino-ethyl)-2-methoxy-...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(F)(F)F)cc1OC
Show InChI InChI=1S/C22H27F3N4O3/c1-4-29(5-2)13-12-26-20(30)18-11-10-17(14-19(18)32-3)28-21(31)27-16-8-6-15(7-9-16)22(23,24)25/h6-11,14H,4-5,12-13H2,1-3H3,(H,26,30)(H2,27,28,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonistic activity against human Melanin-concentrating hormone receptor 1 stably transfected CHO cells was determined using IP3 assay


Bioorg Med Chem Lett 14: 5075-80 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.077
BindingDB Entry DOI: 10.7270/Q2CF9PKT
More data for this
Ligand-Target Pair