BindingDB logo
myBDB logout

BDBM50326863 3-(diaminomethyleneamino)-N-((3R,4R,5S,6R)-5-hydroxy-6-(methoxymethyl)-2,4-bis(naphthalen-2-ylmethoxy)tetrahydro-2H-pyran-3-yl)propanamide::CHEMBL1253626

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

InChI Key: InChIKey=QOLSQLDQCMTXJR-CWXLWGFZSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326863   
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


(Homo sapiens (Human))
BDBM50326863
PNG
(3-(diaminomethyleneamino)-N-((3R,4R,5S,6R)-5-hydro...)
Show SMILES COC[C@H]1OC(OCc2ccc3ccccc3c2)[C@H](NC(=O)CCN=C(N)N)[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O
Show InChI InChI=1S/C33H38N4O6/c1-40-20-27-30(39)31(41-18-21-10-12-23-6-2-4-8-25(23)16-21)29(37-28(38)14-15-36-33(34)35)32(43-27)42-19-22-11-13-24-7-3-5-9-26(24)17-22/h2-13,16-17,27,29-32,39H,14-15,18-20H2,1H3,(H,37,38)(H4,34,35,36)/t27-,29-,30-,31-,32?/m1/s1
Reactome pathway
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.30E+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