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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 1' and Ligand = 'BDBM50310322'   
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 1


(Mus musculus)
BDBM50310322
PNG
((S)-2-(2-((S)-2-(2-acetamidoacetamido)-N-benzyl-3-...)
Show SMILES CC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O)Cc1ccccc1 |r,wU:23.23,8.7,wD:34.34,(23.52,-9.64,;24.85,-10.41,;24.85,-11.95,;26.18,-9.64,;27.52,-10.41,;28.85,-9.64,;28.85,-8.1,;30.18,-10.41,;31.52,-9.64,;31.52,-8.09,;30.75,-6.75,;31.53,-5.42,;30.77,-4.08,;29.22,-4.07,;28.44,-5.42,;29.22,-6.75,;32.85,-10.41,;32.85,-11.95,;34.19,-9.64,;35.52,-10.41,;36.85,-9.64,;36.85,-8.1,;38.19,-10.41,;39.52,-9.64,;39.52,-8.1,;40.85,-7.33,;40.85,-5.79,;42.19,-5.02,;42.19,-3.48,;43.52,-2.71,;40.85,-2.71,;40.85,-10.41,;40.85,-11.95,;42.19,-9.64,;43.52,-10.41,;43.52,-11.95,;44.86,-12.72,;46.09,-11.78,;47.36,-12.66,;46.91,-14.13,;47.7,-15.44,;46.97,-16.79,;45.42,-16.82,;44.63,-15.5,;45.37,-14.16,;44.86,-9.64,;44.86,-8.1,;46.19,-10.41,;47.52,-9.64,;48.86,-10.41,;50.19,-9.64,;48.86,-11.95,;34.18,-8.09,;34.94,-6.75,;36.48,-6.75,;37.24,-5.41,;36.46,-4.08,;34.92,-4.09,;34.16,-5.43,)|
Show InChI InChI=1S/C41H51N11O7/c1-26(53)46-23-36(55)50-34(19-27-11-4-2-5-12-27)40(59)52(24-28-13-6-3-7-14-28)25-37(56)49-32(17-10-18-45-41(43)44)39(58)51-33(38(57)48-22-35(42)54)20-29-21-47-31-16-9-8-15-30(29)31/h2-9,11-16,21,32-34,47H,10,17-20,22-25H2,1H3,(H2,42,54)(H,46,53)(H,48,57)(H,49,56)(H,50,55)(H,51,58)(H4,43,44,45)/t32-,33-,34-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 220n/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC1R 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