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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 = 'BDBM50348572'   
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))
BDBM50348572
PNG
(CHEMBL1801144)
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)N1CCC1 |r|
Show InChI InChI=1S/C36H46ClF2N3O2/c1-22-16-25-28(18-30(22)37)36(19-29(25)35(5,6)33(44)41-12-7-13-41)10-14-40(15-11-36)32(43)27-21-42(34(2,3)4)20-26(27)24-9-8-23(38)17-31(24)39/h8-9,16-18,26-27,29H,7,10-15,19-21H2,1-6H3/t26-,27+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10n/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))
BDBM50348572
PNG
(CHEMBL1801144)
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)N1CCC1 |r|
Show InChI InChI=1S/C36H46ClF2N3O2/c1-22-16-25-28(18-30(22)37)36(19-29(25)35(5,6)33(44)41-12-7-13-41)10-14-40(15-11-36)32(43)27-21-42(34(2,3)4)20-26(27)24-9-8-23(38)17-31(24)39/h8-9,16-18,26-27,29H,7,10-15,19-21H2,1-6H3/t26-,27+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.590n/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