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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50221136'   
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))
BDBM50221136
PNG
(2-amino-N-((S)-1-(2-(4-((R)-3-(2,4-dichlorophenyl)...)
Show SMILES CC(C)C[C@H](NC(=O)C(C)(C)N)c1cc(F)ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCC1=O
Show InChI InChI=1S/C32H42Cl2FN5O3/c1-20(2)16-26(37-31(43)32(3,4)36)24-19-23(35)9-10-27(24)38-12-14-39(15-13-38)30(42)28(40-11-5-6-29(40)41)17-21-7-8-22(33)18-25(21)34/h7-10,18-20,26,28H,5-6,11-17,36H2,1-4H3,(H,37,43)/t26-,28+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
57n/an/an/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human MC4R


Bioorg Med Chem Lett 17: 5610-3 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.097
BindingDB Entry DOI: 10.7270/Q2XK8F8V
More data for this
Ligand-Target Pair