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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 = 'BDBM50225593'   
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))
BDBM50225593
PNG
((4-(1-((2-fluoro-4-methoxybenzylamino)methyl)cyclo...)
Show SMILES COc1ccc(CNCC2(CCCCC2)N2CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(Cl)cc2)C(C)C)c(F)c1
Show InChI InChI=1S/C33H46ClFN4O2/c1-24(2)38-21-29(25-7-10-27(34)11-8-25)30(22-38)32(40)37-15-17-39(18-16-37)33(13-5-4-6-14-33)23-36-20-26-9-12-28(41-3)19-31(26)35/h7-12,19,24,29-30,36H,4-6,13-18,20-23H2,1-3H3/t29-,30+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Displacement of [12]NDPMSH from human MC4R expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6825-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.032
BindingDB Entry DOI: 10.7270/Q2862G5Z
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50225593
PNG
((4-(1-((2-fluoro-4-methoxybenzylamino)methyl)cyclo...)
Show SMILES COc1ccc(CNCC2(CCCCC2)N2CCN(CC2)C(=O)[C@H]2CN(C[C@@H]2c2ccc(Cl)cc2)C(C)C)c(F)c1
Show InChI InChI=1S/C33H46ClFN4O2/c1-24(2)38-21-29(25-7-10-27(34)11-8-25)30(22-38)32(40)37-15-17-39(18-16-37)33(13-5-4-6-14-33)23-36-20-26-9-12-28(41-3)19-31(26)35/h7-12,19,24,29-30,36H,4-6,13-18,20-23H2,1-3H3/t29-,30+/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.60E+3n/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Agonist activity at MC4R assessed as stimulation of cAMP release


Bioorg Med Chem Lett 17: 6825-31 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.032
BindingDB Entry DOI: 10.7270/Q2862G5Z
More data for this
Ligand-Target Pair