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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 = 'BDBM50105889'   
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


(Homo sapiens (Human))		BDBM50105889
PNG
(5-(3-Guanidino-propyl)-8-(1H-indol-3-ylmethyl)-2-n...)
Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCC(=O)NCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
Show InChI InChI=1S/C39H48N10O6/c40-35(52)29-11-5-17-43-33(50)15-16-34(51)46-31(20-23-13-14-24-7-1-2-8-25(24)19-23)37(54)48-30(12-6-18-44-39(41)42)36(53)49-32(38(55)47-29)21-26-22-45-28-10-4-3-9-27(26)28/h1-4,7-10,13-14,19,22,29-32,45H,5-6,11-12,15-18,20-21H2,(H2,40,52)(H,43,50)(H,46,51)(H,47,55)(H,48,54)(H,49,53)(H4,41,42,44)/t29-,30+,31+,32-/m1/s1
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Similars
PubMed
 56n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 3 (hMC3R) (concentration of the peptide at 50% specific binding)

J Med Chem 44: 3665-72 (2001)


BindingDB Entry DOI: 10.7270/Q2RF5T9S
More data for this
Ligand-Target Pair