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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 = 'BDBM50214681'   
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))
BDBM50214681
PNG
(1-[(R)-2-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trif...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCNCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H36Cl2F3N5O2/c1-18(2)13-24(35)22-15-20(29(32,33)34)4-6-25(22)37-9-11-38(12-10-37)28(41)26(39-8-7-36-17-27(39)40)14-19-3-5-21(30)16-23(19)31/h3-6,15-16,18,24,26,36H,7-14,17,35H2,1-2H3/t24-,26+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.5n/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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214681
PNG
(1-[(R)-2-{4-[(1S)-2-(1-amino-3-methylbutyl)-4-trif...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCNCC1=O)C(F)(F)F
Show InChI InChI=1S/C29H36Cl2F3N5O2/c1-18(2)13-24(35)22-15-20(29(32,33)34)4-6-25(22)37-9-11-38(12-10-37)28(41)26(39-8-7-36-17-27(39)40)14-19-3-5-21(30)16-23(19)31/h3-6,15-16,18,24,26,36H,7-14,17,35H2,1-2H3/t24-,26+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


Assay Description
Agonist activity at human MC4 receptor in HEK293 cells assesed as inhibition of alpha-MSH stimulated cAMP production


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