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BDBM50190896 2-(6-(3-cyanophenyl)-1-(1-cyclopentylpiperidin-4-yl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-(3,5-dichlorophenyl)acetamide::CHEMBL212941

SMILES: Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C2C2CCN(CC2)C2CCCC2)-c2cccc(c2)C#N)c1

InChI Key: InChIKey=UERFBWQPEHZSPN-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50190896   
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))
BDBM50190896
PNG
(2-(6-(3-cyanophenyl)-1-(1-cyclopentylpiperidin-4-y...)
Show SMILES Clc1cc(Cl)cc(NC(=O)CN2CCc3cc(ccc3C2C2CCN(CC2)C2CCCC2)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C34H36Cl2N4O/c35-28-18-29(36)20-30(19-28)38-33(41)22-40-15-12-27-17-26(25-5-3-4-23(16-25)21-37)8-9-32(27)34(40)24-10-13-39(14-11-24)31-6-1-2-7-31/h3-5,8-9,16-20,24,31,34H,1-2,6-7,10-15,22H2,(H,38,41)
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Article
PubMed
11n/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