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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 = 'BDBM50221121'   
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))
BDBM50221121
PNG
(CHEMBL397584 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...)
Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C33H45Cl2N5O3/c1-23(2)20-28(36-31(41)13-15-37(3)4)26-8-5-6-9-29(26)38-16-18-39(19-17-38)33(43)30(40-14-7-10-32(40)42)21-24-11-12-25(34)22-27(24)35/h5-6,8-9,11-12,22-23,28,30H,7,10,13-21H2,1-4H3,(H,36,41)/t28-,30+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/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))
BDBM50221121
PNG
(CHEMBL397584 | N-((S)-1-(2-(4-((R)-3-(2,4-dichloro...)
Show SMILES CC(C)C[C@H](NC(=O)CCN(C)C)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C33H45Cl2N5O3/c1-23(2)20-28(36-31(41)13-15-37(3)4)26-8-5-6-9-29(26)38-16-18-39(19-17-38)33(43)30(40-14-7-10-32(40)42)21-24-11-12-25(34)22-27(24)35/h5-6,8-9,11-12,22-23,28,30H,7,10,13-21H2,1-4H3,(H,36,41)/t28-,30+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/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