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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 = 'BDBM50031492'   
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)
BDBM50031492
PNG
(CHEMBL3358539)
Show SMILES CCCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCN=[N+]=[N-])NC(=O)[C@H](CCCC)NC(C)=O)C(N)=O |r|
Show InChI InChI=1/C51H73N17O8/c1-4-6-9-20-37(44(52)70)62-49(75)42(26-33-28-58-36-19-13-12-17-35(33)36)66-46(72)39(21-14-23-57-51(53)54)63-48(74)41(25-32-15-10-8-11-16-32)65-50(76)43(27-34-29-56-30-59-34)67-47(73)40(22-24-60-68-55)64-45(71)38(18-7-5-2)61-31(3)69/h8,10-13,15-17,19,28-30,37-43,58H,4-7,9,14,18,20-27H2,1-3H3,(H2,52,70)(H,56,59)(H,61,69)(H,62,75)(H,63,74)(H,64,71)(H,65,76)(H,66,72)(H,67,73)(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 0.0980n/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