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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50189016'   
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
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))		BDBM50189016
PNG
(1-(2-((S)-1-((R)-2-amino-3-(4-fluorophenyl)propano...)
Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](CCNC(N)=O)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show InChI InChI=1S/C30H35FN6O4/c1-34-27(38)26(18-20-6-9-21-4-2-3-5-22(21)16-20)37-15-14-36(25(29(37)40)12-13-35-30(33)41)28(39)24(32)17-19-7-10-23(31)11-8-19/h2-11,16,24-26H,12-15,17-18,32H2,1H3,(H,34,38)(H3,33,35,41)/t24-,25+,26+/m1/s1
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Similars
Article
PubMed
 2.17E+4n/an/an/an/an/an/an/an/a



Procter & Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human MC1R

Bioorg Med Chem Lett 16: 4668-73 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.087
BindingDB Entry DOI: 10.7270/Q2W66KDF
More data for this
Ligand-Target Pair