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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 = 'BDBM50214694'   
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))
BDBM50214694
PNG
((R)-2-amino-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl)C(F)(F)F
Show InChI InChI=1S/C25H31Cl2F3N4O/c1-15(2)11-21(31)19-13-17(25(28,29)30)4-6-23(19)33-7-9-34(10-8-33)24(35)22(32)12-16-3-5-18(26)14-20(16)27/h3-6,13-15,21-22H,7-12,31-32H2,1-2H3/t21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MC4 receptor


Bioorg Med Chem Lett 18: 1931-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.125
BindingDB Entry DOI: 10.7270/Q2WD409C
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50214694
PNG
((R)-2-amino-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-...)
Show SMILES CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@H](N)Cc1ccc(Cl)cc1Cl)C(F)(F)F
Show InChI InChI=1S/C25H31Cl2F3N4O/c1-15(2)11-21(31)19-13-17(25(28,29)30)4-6-23(19)33-7-9-34(10-8-33)24(35)22(32)12-16-3-5-18(26)14-20(16)27/h3-6,13-15,21-22H,7-12,31-32H2,1-2H3/t21-,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
39n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by ChEMBL


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


Bioorg Med Chem 15: 5166-76 (2007)


Article DOI: 10.1016/j.bmc.2007.05.026
BindingDB Entry DOI: 10.7270/Q2FF3S2P
More data for this
Ligand-Target Pair