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BDBM50190886 2-[6-(3-cyano-phenyl)-1'-cyclobutyl-3,4-dihydro-spiro[isoquinoline-1,4'-piperidin]-2-yl]-N-(3,5-dichloro-phenyl)-acetamide::CHEMBL217581

SMILES: Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C22CCN(CC2)C2CCC2)-c2cccc(c2)C#N)c1

InChI Key: InChIKey=FZTBMMNDYRLJID-UHFFFAOYSA-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 = 50190886   
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))
BDBM50190886
PNG
(2-[6-(3-cyano-phenyl)-1'-cyclobutyl-3,4-dihydro-sp...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C22CCN(CC2)C2CCC2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C32H32Cl2N4O/c33-26-17-27(34)19-28(18-26)36-31(39)21-38-12-9-25-16-24(23-4-1-3-22(15-23)20-35)7-8-30(25)32(38)10-13-37(14-11-32)29-5-2-6-29/h1,3-4,7-8,15-19,29H,2,5-6,9-14,21H2,(H,36,39)
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Article
PubMed
13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1


Bioorg Med Chem Lett 16: 4917-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.055
BindingDB Entry DOI: 10.7270/Q2WW7H83
More data for this
Ligand-Target Pair