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BDBM50190869 2-(6-(3-cyanophenyl)-1-(1-(5-hydroxypentyl)piperidin-4-yl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-(3,5-dichlorophenyl)acetamide::CHEMBL378428

SMILES: OCCCCCN1CCC(CC1)C1N(CC(=O)Nc2cc(Cl)cc(Cl)c2)CCc2cc(ccc12)-c1cccc(c1)C#N

InChI Key: InChIKey=PAKQKODTRSUOFG-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 = 50190869   
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))
BDBM50190869
PNG
(2-(6-(3-cyanophenyl)-1-(1-(5-hydroxypentyl)piperid...)
Show SMILES OCCCCCN1CCC(CC1)C1N(CC(=O)Nc2cc(Cl)cc(Cl)c2)CCc2cc(ccc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C34H38Cl2N4O2/c35-29-19-30(36)21-31(20-29)38-33(42)23-40-15-11-28-18-27(26-6-4-5-24(17-26)22-37)7-8-32(28)34(40)25-9-13-39(14-10-25)12-2-1-3-16-41/h4-8,17-21,25,34,41H,1-3,9-16,23H2,(H,38,42)
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Similars

Article
PubMed
6.80n/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