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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 = 'BDBM50174883'   
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))
BDBM50174883
PNG
(CHEMBL196773 | X3-Apc-DPhe-Arg-Trp-Z3-NH2)
Show SMILES C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@]1(CC[C@@H](CC1)c1ccccc1)NC(=O)Cc1ccccc1)C(N)=O |wU:19.28,44.50,30.40,1.0,41.57,wD:41.43,5.17,(22.03,-37.25,;22.04,-38.79,;20.72,-39.56,;19.38,-38.78,;19.38,-37.25,;18.04,-39.56,;18.04,-41.1,;19.38,-41.87,;20.71,-41.09,;21.82,-42.39,;21.05,-43.73,;21.52,-45.19,;20.5,-46.33,;18.98,-46.02,;18.51,-44.55,;19.54,-43.4,;16.7,-38.78,;15.36,-39.56,;15.36,-41.1,;14.02,-38.78,;14.02,-37.25,;15.36,-36.47,;15.36,-34.93,;16.7,-34.16,;16.7,-32.62,;18.04,-31.84,;15.36,-31.84,;12.69,-39.56,;11.35,-38.78,;11.35,-37.25,;10.02,-39.56,;10.02,-41.1,;11.35,-41.87,;11.34,-43.42,;12.68,-44.19,;14.01,-43.42,;14.01,-41.87,;12.67,-41.11,;8.68,-38.78,;7.34,-39.56,;7.34,-41.1,;6.01,-38.79,;7.35,-38.02,;7.35,-36.49,;6.02,-35.72,;4.69,-36.49,;4.68,-38.03,;6.03,-34.19,;7.36,-33.42,;7.37,-31.89,;6.04,-31.12,;4.71,-31.89,;4.71,-33.42,;4.67,-39.56,;3.33,-38.78,;3.33,-37.25,;2,-39.56,;.67,-38.79,;.67,-37.25,;-.65,-36.49,;-1.99,-37.26,;-1.97,-38.8,;-.65,-39.56,;23.37,-39.55,;24.7,-38.78,;23.37,-41.09,)|
Show InChI InChI=1S/C50H60N10O6/c1-32(44(51)62)56-46(64)42(30-37-31-55-39-21-12-11-20-38(37)39)58-45(63)40(22-13-27-54-49(52)53)57-47(65)41(28-33-14-5-2-6-15-33)59-48(66)50(60-43(61)29-34-16-7-3-8-17-34)25-23-36(24-26-50)35-18-9-4-10-19-35/h2-12,14-21,31-32,36,40-42,55H,13,22-30H2,1H3,(H2,51,62)(H,56,64)(H,57,65)(H,58,63)(H,59,66)(H,60,61)(H4,52,53,54)/t32-,36-,40-,41+,42-,50+/m0/s1
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Similars

Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation


Bioorg Med Chem Lett 15: 5504-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.083
BindingDB Entry DOI: 10.7270/Q2MC8ZK7
More data for this
Ligand-Target Pair