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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 = 'BDBM50224186'   
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))
BDBM50224186
PNG
((R)-1-(4-(2-((S)-1-amino-2-methylpropyl)-4-methylp...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1F |r|
Show InChI InChI=1S/C25H33ClFN3O/c1-16(2)24(28)21-13-17(3)5-8-23(21)29-9-11-30(12-10-29)25(31)18(4)14-19-6-7-20(26)15-22(19)27/h5-8,13,15-16,18,24H,9-12,14,28H2,1-4H3/t18-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells


Bioorg Med Chem 16: 5606-18 (2008)


Article DOI: 10.1016/j.bmc.2008.03.072
BindingDB Entry DOI: 10.7270/Q2TX3F54
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50224186
PNG
((R)-1-(4-(2-((S)-1-amino-2-methylpropyl)-4-methylp...)
Show SMILES CC(C)[C@H](N)c1cc(C)ccc1N1CCN(CC1)C(=O)[C@H](C)Cc1ccc(Cl)cc1F |r|
Show InChI InChI=1S/C25H33ClFN3O/c1-16(2)24(28)21-13-17(3)5-8-23(21)29-9-11-30(12-10-29)25(31)18(4)14-19-6-7-20(26)15-22(19)27/h5-8,13,15-16,18,24H,9-12,14,28H2,1-4H3/t18-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells


J Med Chem 50: 5249-52 (2007)


Article DOI: 10.1021/jm070806a
BindingDB Entry DOI: 10.7270/Q29C6X6B
More data for this
Ligand-Target Pair