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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3' and Ligand = 'BDBM50266716'   
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 3


(Mus musculus)		BDBM50266716
PNG
(CHEMBL4090448)
Show SMILES CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1S/C40H45IN8O5/c1-24(50)49-23-30-10-5-4-9-29(30)22-35(49)39(54)46-32(11-6-18-45-40(43)44)37(52)48-34(20-25-13-16-31(41)17-14-25)38(53)47-33(36(42)51)21-26-12-15-27-7-2-3-8-28(27)19-26/h2-5,7-10,12-17,19,32-35H,6,11,18,20-23H2,1H3,(H2,42,51)(H,46,54)(H,47,53)(H,48,52)(H4,43,44,45)/t32-,33-,34+,35-/m0/s1
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Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at mouse MC3R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay

J Med Chem 60: 4342-4357 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00301
BindingDB Entry DOI: 10.7270/Q24170J1
More data for this
Ligand-Target Pair