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BDBM50190863 2-[6-(3-cyano-phenyl)-1'-cyclopropylmethyl-3,4-dihydro-spiro[isoquinoline-1,4'-piperidin]-2-yl]-N-(3,5-dichloro-phenyl)-acetamide::CHEMBL215567

SMILES: Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C22CCN(CC3CC3)CC2)-c2cccc(c2)C#N)c1

InChI Key: InChIKey=CEIHUCQKHLGCPK-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 = 50190863   
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))
BDBM50190863
PNG
(2-[6-(3-cyano-phenyl)-1'-cyclopropylmethyl-3,4-dih...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C22CCN(CC3CC3)CC2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C32H32Cl2N4O/c33-27-16-28(34)18-29(17-27)36-31(39)21-38-11-8-26-15-25(24-3-1-2-23(14-24)19-35)6-7-30(26)32(38)9-12-37(13-10-32)20-22-4-5-22/h1-3,6-7,14-18,22H,4-5,8-13,20-21H2,(H,36,39)
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Article
PubMed
15n/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