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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanin-concentrating hormone receptor 1' and Ligand = 'BDBM50198577'   
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))
BDBM50198577
PNG
((S)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydro...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2cccc(c2)C(F)(F)F)CC1=O
Show InChI InChI=1S/C28H36F3N3O/c1-3-32(4-2)19-22-8-9-24-18-26(11-10-23(24)16-22)34-15-14-33(20-27(34)35)13-12-21-6-5-7-25(17-21)28(29,30)31/h5-9,16-17,26H,3-4,10-15,18-20H2,1-2H3/t26-/m0/s1
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PC sid
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Article
PubMed
93n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MCHR1 by flash plate radioligand binding assay


Bioorg Med Chem 15: 2092-105 (2007)


Article DOI: 10.1016/j.bmc.2006.12.028
BindingDB Entry DOI: 10.7270/Q23R0SK8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50198577
PNG
((S)-1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydro...)
Show SMILES CCN(CC)Cc1ccc2C[C@H](CCc2c1)N1CCN(CCc2cccc(c2)C(F)(F)F)CC1=O
Show InChI InChI=1S/C28H36F3N3O/c1-3-32(4-2)19-22-8-9-24-18-26(11-10-23(24)16-22)34-15-14-33(20-27(34)35)13-12-21-6-5-7-25(17-21)28(29,30)31/h5-9,16-17,26H,3-4,10-15,18-20H2,1-2H3/t26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
93n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Functional antagonism of MCH-R1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 819-22 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.052
BindingDB Entry DOI: 10.7270/Q2736QKD
More data for this
Ligand-Target Pair