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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 = 'BDBM50310321'   
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)
BDBM50310321
PNG
(2-((6S,9S,12R)-6-((1H-indol-3-yl)methyl)-12,16-dib...)
Show SMILES NC(=O)CN1CCNC(=O)CCC(=O)N(Cc2ccccc2)CC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O |r,wU:26.27,37.39,wD:48.50,(41.43,-22.54,;40.1,-23.3,;40.1,-24.84,;38.77,-22.54,;37.44,-23.31,;36.1,-22.54,;36.09,-21,;32.06,-20.2,;32.05,-18.66,;33.38,-17.87,;30.7,-17.89,;29.37,-18.67,;29.39,-20.21,;30.73,-20.97,;28.05,-20.99,;26.72,-20.23,;26.71,-18.69,;28.05,-17.92,;28.04,-16.38,;26.69,-15.61,;25.36,-16.4,;25.38,-17.94,;28.07,-22.54,;26.74,-23.31,;25.4,-22.55,;26.75,-24.85,;28.09,-25.64,;28.08,-27.17,;26.74,-27.92,;25.41,-27.13,;24.07,-27.88,;24.05,-29.43,;25.38,-30.21,;26.72,-29.46,;29.43,-24.86,;29.43,-23.32,;30.76,-25.64,;32.11,-24.86,;32.11,-26.4,;30.77,-27.18,;30.77,-28.72,;29.43,-29.49,;29.43,-31.03,;28.1,-31.8,;30.77,-31.8,;33.43,-25.64,;33.43,-27.18,;34.77,-24.86,;36.1,-25.64,;36.1,-27.18,;37.44,-27.94,;38.67,-27.01,;39.94,-27.89,;39.49,-29.36,;40.29,-30.68,;39.55,-32.02,;38,-32.05,;37.21,-30.74,;37.95,-29.39,;37.44,-24.85,;38.78,-25.62,)|
Show InChI InChI=1S/C43H53N11O7/c44-36(55)26-53-21-20-47-37(56)17-18-39(58)54(25-29-12-5-2-6-13-29)27-38(57)50-34(22-28-10-3-1-4-11-28)41(60)51-33(16-9-19-48-43(45)46)40(59)52-35(42(53)61)23-30-24-49-32-15-8-7-14-31(30)32/h1-8,10-15,24,33-35,49H,9,16-23,25-27H2,(H2,44,55)(H,47,56)(H,50,57)(H,51,60)(H,52,59)(H4,45,46,48)/t33-,34+,35-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.37E+3n/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC4R expressed in HEK293 cells by beta-galactosidase reporter gene assay


Bioorg Med Chem 18: 580-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.010
BindingDB Entry DOI: 10.7270/Q20Z73C3
More data for this
Ligand-Target Pair