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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 = 'BDBM50253733'   
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))
BDBM50253733
PNG
(2-{4-[2-Acetylamino-3-(4-fluoro-phenyl)-propionyl]...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O |r|
Show InChI InChI=1S/C32H37FN4O4/c1-4-7-28-32(41)37(29(30(39)34-3)20-23-10-13-24-8-5-6-9-25(24)18-23)17-16-36(28)31(40)27(35-21(2)38)19-22-11-14-26(33)15-12-22/h5-6,8-15,18,27-29H,4,7,16-17,19-20H2,1-3H3,(H,34,39)(H,35,38)/t27-,28+,29+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells


J Med Chem 51: 6055-66 (2008)


Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50253733
PNG
(2-{4-[2-Acetylamino-3-(4-fluoro-phenyl)-propionyl]...)
Show SMILES CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(C)=O |r|
Show InChI InChI=1S/C32H37FN4O4/c1-4-7-28-32(41)37(29(30(39)34-3)20-23-10-13-24-8-5-6-9-25(24)18-23)17-16-36(28)31(40)27(35-21(2)38)19-22-11-14-26(33)15-12-22/h5-6,8-15,18,27-29H,4,7,16-17,19-20H2,1-3H3,(H,34,39)(H,35,38)/t27-,28+,29+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in HEK293 cells assessed as effect on CRE-driven luminescence by luciferase reporter gene assay


J Med Chem 51: 6055-66 (2008)


Article DOI: 10.1021/jm800525p
BindingDB Entry DOI: 10.7270/Q2DV1JQC
More data for this
Ligand-Target Pair