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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 = 'BDBM50348573'   
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))
BDBM50348573
PNG
(CHEMBL1801145)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC(F)(F)C1 |r|
Show InChI InChI=1S/C36H44ClF4N3O2/c1-21-13-24-27(15-29(21)37)35(16-28(24)34(5,6)32(46)43-19-36(40,41)20-43)9-11-42(12-10-35)31(45)26-18-44(33(2,3)4)17-25(26)23-8-7-22(38)14-30(23)39/h7-8,13-15,25-26,28H,9-12,16-20H2,1-6H3/t25-,26+,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]-NDP-R-MSH from human MC4R expressed in CHO cells after 1.5 hrs by scintillation counting


Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50348573
PNG
(CHEMBL1801145)
Show SMILES Cc1cc2[C@H](CC3(CCN(CC3)C(=O)[C@@H]3CN(C[C@H]3c3ccc(F)cc3F)C(C)(C)C)c2cc1Cl)C(C)(C)C(=O)N1CC(F)(F)C1 |r|
Show InChI InChI=1S/C36H44ClF4N3O2/c1-21-13-24-27(15-29(21)37)35(16-28(24)34(5,6)32(46)43-19-36(40,41)20-43)9-11-42(12-10-35)31(45)26-18-44(33(2,3)4)17-25(26)23-8-7-22(38)14-30(23)39/h7-8,13-15,25-26,28H,9-12,16-20H2,1-6H3/t25-,26+,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human MC4R expressed in CHO cells assessed as increase of alpha-MSH-stimulated cAMP release pretreated for 10 mins before alpha-M...


Bioorg Med Chem Lett 20: 4399-405 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.062
BindingDB Entry DOI: 10.7270/Q23F4Q07
More data for this
Ligand-Target Pair