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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 = 'BDBM50221110'   
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))
BDBM50221110
PNG
(2-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-ox...)
Show SMILES CC(C)C[C@H](NCC(O)=O)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C31H37Cl2F3N4O4/c1-19(2)14-25(37-18-29(42)43)23-16-21(31(34,35)36)6-8-26(23)38-10-12-39(13-11-38)30(44)27(40-9-3-4-28(40)41)15-20-5-7-22(32)17-24(20)33/h5-8,16-17,19,25,27,37H,3-4,9-15,18H2,1-2H3,(H,42,43)/t25-,27+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/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))
BDBM50221110
PNG
(2-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)-2-(2-ox...)
Show SMILES CC(C)C[C@H](NCC(O)=O)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O)C(F)(F)F
Show InChI InChI=1S/C31H37Cl2F3N4O4/c1-19(2)14-25(37-18-29(42)43)23-16-21(31(34,35)36)6-8-26(23)38-10-12-39(13-11-38)30(44)27(40-9-3-4-28(40)41)15-20-5-7-22(32)17-24(20)33/h5-8,16-17,19,25,27,37H,3-4,9-15,18H2,1-2H3,(H,42,43)/t25-,27+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 460n/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