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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 = 'BDBM50323444'   
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))
BDBM50323444
PNG
(2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...)
Show SMILES CCC(CC)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(CC1)O[C@@H](c1cc(C)c(Cl)cc21)C(C)(C)C#N |r|
Show InChI InChI=1S/C33H40ClF2N3O2/c1-6-22(7-2)39-17-25(23-9-8-21(35)15-29(23)36)26(18-39)31(40)38-12-10-33(11-13-38)27-16-28(34)20(3)14-24(27)30(41-33)32(4,5)19-37/h8-9,14-16,22,25-26,30H,6-7,10-13,17-18H2,1-5H3/t25-,26+,30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human melanocortin 4 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4895-900 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.068
BindingDB Entry DOI: 10.7270/Q2TB172P
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50323444
PNG
(2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)...)
Show SMILES CCC(CC)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(CC1)O[C@@H](c1cc(C)c(Cl)cc21)C(C)(C)C#N |r|
Show InChI InChI=1S/C33H40ClF2N3O2/c1-6-22(7-2)39-17-25(23-9-8-21(35)15-29(23)36)26(18-39)31(40)38-12-10-33(11-13-38)27-16-28(34)20(3)14-24(27)30(41-33)32(4,5)19-37/h8-9,14-16,22,25-26,30H,6-7,10-13,17-18H2,1-5H3/t25-,26+,30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 34n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human melanocortin 4 receptor expressed in CHO cells assessed as cAMP release


Bioorg Med Chem Lett 20: 4895-900 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.068
BindingDB Entry DOI: 10.7270/Q2TB172P
More data for this
Ligand-Target Pair