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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 = 'BDBM50323445'   
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))
BDBM50323445
PNG
(2-((3S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl...)
Show SMILES COCC(C)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/C32H38ClF2N3O3/c1-19-12-23-26(14-27(19)33)32(41-29(23)31(3,4)18-36)8-10-37(11-9-32)30(39)25-16-38(20(2)17-40-5)15-24(25)22-7-6-21(34)13-28(22)35/h6-7,12-14,20,24-25,29H,8-11,15-17H2,1-5H3/t20?,24-,25+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44n/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))
BDBM50323445
PNG
(2-((3S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl...)
Show SMILES COCC(C)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/C32H38ClF2N3O3/c1-19-12-23-26(14-27(19)33)32(41-29(23)31(3,4)18-36)8-10-37(11-9-32)30(39)25-16-38(20(2)17-40-5)15-24(25)22-7-6-21(34)13-28(22)35/h6-7,12-14,20,24-25,29H,8-11,15-17H2,1-5H3/t20?,24-,25+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 73n/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