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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50122512'   
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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50122512
PNG
(3-{4-[2-(4-Fluoro-phenyl)-2-(4-methyl-piperazin-1-...)
Show SMILES CC(CN1CCN(CC(N2CCN(C)CC2)c2ccc(F)cc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H37FN4O/c1-22(27(33)24-6-4-3-5-7-24)20-30-14-16-31(17-15-30)21-26(23-8-10-25(28)11-9-23)32-18-12-29(2)13-19-32/h3-11,22,26H,12-21H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit the binding of [125I]-AGRP to the human Melanocortin 4 receptor


J Med Chem 46: 9-11 (2002)


Article DOI: 10.1021/jm0255522
BindingDB Entry DOI: 10.7270/Q2SQ8ZQ1
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50122512
PNG
(3-{4-[2-(4-Fluoro-phenyl)-2-(4-methyl-piperazin-1-...)
Show SMILES CC(CN1CCN(CC(N2CCN(C)CC2)c2ccc(F)cc2)CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H37FN4O/c1-22(27(33)24-6-4-3-5-7-24)20-30-14-16-31(17-15-30)21-26(23-8-10-25(28)11-9-23)32-18-12-29(2)13-19-32/h3-11,22,26H,12-21H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 217n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
In vitro ability to inhibit the binding of alpha [125I]-NDP-MSH to the human Melanocortin 4 receptor


J Med Chem 46: 9-11 (2002)


Article DOI: 10.1021/jm0255522
BindingDB Entry DOI: 10.7270/Q2SQ8ZQ1
More data for this
Ligand-Target Pair