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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 = 'BDBM50203056'   
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))
BDBM50203056
PNG
(CHEMBL388181 | N-(4'-fluoro-biphenyl-4-yl)-3-(4-pi...)
Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)CCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C27H29FN2O/c28-25-13-9-23(10-14-25)24-11-15-26(16-12-24)29-27(31)17-8-21-4-6-22(7-5-21)20-30-18-2-1-3-19-30/h4-7,9-16H,1-3,8,17-20H2,(H,29,31)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
25n/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))
BDBM50203056
PNG
(CHEMBL388181 | N-(4'-fluoro-biphenyl-4-yl)-3-(4-pi...)
Show SMILES Fc1ccc(cc1)-c1ccc(NC(=O)CCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C27H29FN2O/c28-25-13-9-23(10-14-25)24-11-15-26(16-12-24)29-27(31)17-8-21-4-6-22(7-5-21)20-30-18-2-1-3-19-30/h4-7,9-16H,1-3,8,17-20H2,(H,29,31)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 31n/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