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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 = 'BDBM50031494'   
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


(Mus musculus)
BDBM50031494
PNG
(CHEMBL3358537)
Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC#C)C(N)=O |r|
Show InChI InChI=1/C51H69N17O8/c1-4-6-19-38(61-31(3)69)45(71)63-39(21-12-13-24-60-68-55)46(72)67-43(27-34-29-56-30-59-34)50(76)65-41(25-32-16-8-7-9-17-32)48(74)64-40(22-14-23-57-51(53)54)47(73)66-42(49(75)62-37(15-5-2)44(52)70)26-33-28-58-36-20-11-10-18-35(33)36/h2,7-11,16-18,20,28-30,37-43,58H,4,6,12-15,19,21-27H2,1,3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,71)(H,64,74)(H,65,76)(H,66,73)(H,67,72)(H4,53,54,57)/t37-,38-,39-,40-,41+,42-,43-/s2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.810n/an/an/an/a



University of Cergy-Pontoise

Curated by ChEMBL


Assay Description
Activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumulation by CRE/beta-galactosidase reporter gene assay


J Med Chem 57: 9424-34 (2014)


Article DOI: 10.1021/jm501027w
BindingDB Entry DOI: 10.7270/Q21G0NVT
More data for this
Ligand-Target Pair