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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 = 'BDBM50217735'   
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


(Homo sapiens (Human))
BDBM50217735
PNG
(CHEMBL236002 | N-(2-bromo-4,5-dimethoxycinnamyl)-4...)
Show SMILES COc1cc(Br)c(\C=C\CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC |(15.88,-19.42,;15.9,-20.96,;17.24,-21.71,;17.27,-23.26,;18.62,-24,;18.64,-25.54,;19.93,-23.21,;21.27,-23.96,;22.6,-23.18,;23.94,-23.93,;25.26,-23.14,;25.23,-21.58,;26.58,-20.79,;26.56,-19.24,;25.2,-18.48,;25.18,-16.94,;26.51,-16.15,;27.85,-16.92,;29.17,-16.14,;29.16,-14.6,;30.49,-13.82,;27.82,-13.84,;26.49,-14.62,;23.87,-19.27,;23.87,-20.83,;26.61,-23.9,;26.64,-25.45,;27.94,-23.1,;29.28,-23.83,;30.62,-23.06,;31.94,-23.82,;33.35,-23.15,;34.12,-21.81,;35.66,-21.8,;36.43,-23.13,;37.97,-23.12,;38.73,-21.78,;40.27,-21.76,;37.94,-20.45,;36.41,-20.46,;34.41,-24.28,;33.66,-25.62,;34.15,-27.07,;33.15,-28.23,;31.63,-27.93,;31.14,-26.48,;32.15,-25.32,;19.91,-21.67,;18.57,-20.92,;18.55,-19.38,;19.87,-18.59,)|
Show InChI InChI=1S/C43H54BrN3O4/c1-50-41-27-32(38(44)28-42(41)51-2)7-6-24-47(34-20-14-30(15-21-34)25-29-12-18-33(45)19-13-29)43(49)11-5-9-37-36-8-3-4-10-39(36)46-40(37)26-31-16-22-35(48)23-17-31/h3-4,6-8,10,16-17,22-23,27-30,33-34,46,48H,5,9,11-15,18-21,24-26,45H2,1-2H3/b7-6+
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-MSH from human recombinant MC4 receptor expressed in Sf9 cells


Bioorg Med Chem 15: 5787-810 (2007)


Article DOI: 10.1016/j.bmc.2007.06.003
BindingDB Entry DOI: 10.7270/Q2X066Q5
More data for this
Ligand-Target Pair