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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 = 'BDBM50031499'   
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)
BDBM50031499
PNG
(CHEMBL3358542)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(N)=O)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](CCCCNC(C)=O)C(N)=O |r|
Show InChI InChI=1/C52H74N16O10/c1-29(2)21-39(62-31(4)70)47(74)68-43(25-44(53)71)51(78)67-42(24-34-27-57-28-61-34)50(77)65-40(22-32-13-6-5-7-14-32)48(75)64-38(18-12-20-59-52(55)56)46(73)66-41(23-33-26-60-36-16-9-8-15-35(33)36)49(76)63-37(45(54)72)17-10-11-19-58-30(3)69/h5-9,13-16,26-29,37-43,60H,10-12,17-25H2,1-4H3,(H2,53,71)(H2,54,72)(H,57,61)(H,58,69)(H,62,70)(H,63,76)(H,64,75)(H,65,77)(H,66,73)(H,67,78)(H,68,74)(H4,55,56,59)/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 0.310n/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