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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 = 'BDBM50214686'   
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))
BDBM50214686
PNG
(1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-fluor...)
Show SMILES CC(C)C[C@H](N)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C28H35Cl2FN4O2/c1-18(2)14-24(32)22-17-21(31)7-8-25(22)33-10-12-34(13-11-33)28(37)26(35-9-3-4-27(35)36)15-19-5-6-20(29)16-23(19)30/h5-8,16-18,24,26H,3-4,9-15,32H2,1-2H3/t24-,26+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
26n/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))
BDBM50214686
PNG
(1-((R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-fluor...)
Show SMILES CC(C)C[C@H](N)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C28H35Cl2FN4O2/c1-18(2)14-24(32)22-17-21(31)7-8-25(22)33-10-12-34(13-11-33)28(37)26(35-9-3-4-27(35)36)15-19-5-6-20(29)16-23(19)30/h5-8,16-18,24,26H,3-4,9-15,32H2,1-2H3/t24-,26+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from MC4R receptor in HEK293 cells


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair