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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 = 'BDBM50315683'   
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))
BDBM50315683
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(F)cc1F |r|
Show InChI InChI=1S/C25H29F3N2O2/c1-15-11-30(12-16(2)25(15,32)17-4-6-18(26)7-5-17)24(31)22-14-29(3)13-21(22)20-9-8-19(27)10-23(20)28/h4-10,15-16,21-22,32H,11-14H2,1-3H3/t15-,16+,21-,22+,25-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
346n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50315683
PNG
(((3S,4R)-4-(2,4-difluorophenyl)-1-methylpyrrolidin...)
Show SMILES C[C@H]1CN(C[C@@H](C)[C@]1(O)c1ccc(F)cc1)C(=O)[C@@H]1CN(C)C[C@H]1c1ccc(F)cc1F |r|
Show InChI InChI=1S/C25H29F3N2O2/c1-15-11-30(12-16(2)25(15,32)17-4-6-18(26)7-5-17)24(31)22-14-29(3)13-21(22)20-9-8-19(27)10-23(20)28/h4-10,15-16,21-22,32H,11-14H2,1-3H3/t15-,16+,21-,22+,25-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 365n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant MC4 receptor expressed in CHO cells by cAMP responsive beta lactamase reporter gene assay


J Med Chem 53: 3183-97 (2010)


Article DOI: 10.1021/jm9017866
BindingDB Entry DOI: 10.7270/Q20G3M4T
More data for this
Ligand-Target Pair