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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 5' and Ligand = 'BDBM50220693'   
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 5


(Homo sapiens (Human))		BDBM50220693
PNG
((R)-N-((S)-3-(4-chlorophenyl)-1-(4-(cyanomethyl)-4...)
Show SMILES Clc1ccc(C[C@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CC#N)(CC2)C2CCCCC2)cc1
Show InChI InChI=1S/C32H39ClN4O2/c33-27-12-10-23(11-13-27)20-29(36-30(38)28-21-24-6-4-5-7-25(24)22-35-28)31(39)37-18-15-32(14-17-34,16-19-37)26-8-2-1-3-9-26/h4-7,10-13,26,28-29,35H,1-3,8-9,14-16,18-22H2,(H,36,38)/t28-,29+/m1/s1
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Article
PubMed
n/an/an/an/a 640n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human MC5R assessed as stimulation of cAMP production

Bioorg Med Chem Lett 17: 5720-3 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.084
BindingDB Entry DOI: 10.7270/Q2708141
More data for this
Ligand-Target Pair