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BDBM50326860 CHEMBL1254711::N-((3R,4R,5S,6R)-2-(4-chlorobenzyloxy)-5-hydroxy-6-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)tetrahydro-2H-pyran-3-yl)-4-(diaminomethyleneamino)butanamide

SMILES: [#6]-[#8]-[#6]-[#6@H]-1-[#8]-[#6](-[#8]-[#6]-c2ccc(Cl)cc2)-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8]-[#6]-c2ccc3ccccc3c2)-[#6@@H]-1-[#8]

InChI Key: InChIKey=AKJBLRLZAFYIJF-MTUUNIGCSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326860   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50326860
PNG
(CHEMBL1254711 | N-((3R,4R,5S,6R)-2-(4-chlorobenzyl...)
Show SMILES [#6]-[#8]-[#6]-[#6@H]-1-[#8]-[#6](-[#8]-[#6]-c2ccc(Cl)cc2)-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6@@H](-[#8]-[#6]-c2ccc3ccccc3c2)-[#6@@H]-1-[#8] |r|
Show InChI InChI=1S/C30H37ClN4O6/c1-38-18-24-27(37)28(39-17-20-8-11-21-5-2-3-6-22(21)15-20)26(35-25(36)7-4-14-34-30(32)33)29(41-24)40-16-19-9-12-23(31)13-10-19/h2-3,5-6,8-13,15,24,26-29,37H,4,7,14,16-18H2,1H3,(H,35,36)(H4,32,33,34)/t24-,26-,27-,28-,29?/m1/s1
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Similars

Article
PubMed
2.60E+3n/an/an/an/an/an/an/an/a



Alchemia Ltd

Curated by ChEMBL


Assay Description
Displacement of [I125I]MCH from human MCH1 receptor expressed in CHO cells by scintillation counting


J Med Chem 53: 5576-86 (2010)


Article DOI: 10.1021/jm1002777
BindingDB Entry DOI: 10.7270/Q2QC03QK
More data for this
Ligand-Target Pair