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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 = 'BDBM50105883'   
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))		BDBM50105883
PNG
(3-[25-Acetylamino-4-carbamoyl-13-(3-guanidino-prop...)
Show SMILES CC(=O)N[C@@H]1CSSC[C@H](NC(=O)CNC(=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)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
Show InChI InChI=1S/C51H63N15O11S2/c1-27(67)60-41-25-79-78-24-40(44(52)71)61-42(68)23-58-45(72)38(19-31-21-57-34-10-5-4-9-33(31)34)65-46(73)35(11-6-16-56-51(53)54)62-48(75)37(18-28-12-13-29-7-2-3-8-30(29)17-28)64-49(76)39(20-32-22-55-26-59-32)66-47(74)36(63-50(41)77)14-15-43(69)70/h2-5,7-10,12-13,17,21-22,26,35-41,57H,6,11,14-16,18-20,23-25H2,1H3,(H2,52,71)(H,55,59)(H,58,72)(H,60,67)(H,61,68)(H,62,75)(H,63,77)(H,64,76)(H,65,73)(H,66,74)(H,69,70)(H4,53,54,56)/t35-,36+,37-,38+,39-,40-,41+/m0/s1
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Similars
PubMed
 0.570n/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