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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 = 'BDBM50105876'   
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))		BDBM50105876
PNG
(15-Amino-6-(3-guanidino-propyl)-12-(3H-imidazol-4-...)
Show SMILES N[C@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O
Show InChI InChI=1S/C46H58N14O7/c47-32-22-39(61)52-16-6-5-12-34(40(48)62)56-44(66)37(20-29-23-54-33-11-4-3-10-31(29)33)60-42(64)35(13-7-17-53-46(49)50)57-43(65)36(19-26-14-15-27-8-1-2-9-28(27)18-26)59-45(67)38(58-41(32)63)21-30-24-51-25-55-30/h1-4,8-11,14-15,18,23-25,32,34-38,54H,5-7,12-13,16-17,19-22,47H2,(H2,48,62)(H,51,55)(H,52,61)(H,56,66)(H,57,65)(H,58,63)(H,59,67)(H,60,64)(H4,49,50,53)/t32-,34+,35-,36-,37+,38-/m0/s1
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Similars
PubMed
 1.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human melanocortin receptor 4 (hMC4R) (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