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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 = 'BDBM50221141'   
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))
BDBM50221141
PNG
(CHEMBL397583 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...)
Show SMILES CNCCC(=O)N[C@@H](CC(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C33H45Cl2N5O3/c1-22(2)18-28(37-31(41)11-12-36-4)26-19-23(3)7-10-29(26)38-14-16-39(17-15-38)33(43)30(40-13-5-6-32(40)42)20-24-8-9-25(34)21-27(24)35/h7-10,19,21-22,28,30,36H,5-6,11-18,20H2,1-4H3,(H,37,41)/t28-,30+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50221141
PNG
(CHEMBL397583 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...)
Show SMILES CNCCC(=O)N[C@@H](CC(C)C)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C33H45Cl2N5O3/c1-22(2)18-28(37-31(41)11-12-36-4)26-19-23(3)7-10-29(26)38-14-16-39(17-15-38)33(43)30(40-13-5-6-32(40)42)20-24-8-9-25(34)21-27(24)35/h7-10,19,21-22,28,30,36H,5-6,11-18,20H2,1-4H3,(H,37,41)/t28-,30+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human MC4R expressed in HEK293 cells by cAMP accumulation assay


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair