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SMILES: Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1

InChI Key: InChIKey=DPXKLPKWHZIBGK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50198522   
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
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50198522
PNG
(1-(4-chlorophenyl)-5-cyclohexyl-2-(2,4-dichlorophe...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1 |(24.23,-10.69,;24.72,-12.15,;26.2,-12.62,;26.2,-14.17,;27.54,-14.94,;28.88,-14.17,;28.88,-12.62,;30.21,-11.85,;31.55,-12.64,;32.88,-11.88,;32.89,-10.34,;31.55,-9.56,;30.21,-10.33,;27.54,-11.84,;27.54,-10.31,;24.73,-14.66,;23.82,-13.41,;22.28,-13.43,;21.53,-14.77,;19.99,-14.78,;19.2,-13.45,;17.67,-13.47,;19.97,-12.11,;21.5,-12.1,;22.26,-10.76,;24.26,-16.12,;22.76,-16.44,;22.29,-17.91,;23.33,-19.05,;22.86,-20.52,;24.84,-18.71,;25.3,-17.25,)|
Show InChI InChI=1S/C26H25Cl3N2O/c1-16-24-23(13-14-30(26(24)32)19-5-3-2-4-6-19)31(20-10-7-17(27)8-11-20)25(16)21-12-9-18(28)15-22(21)29/h7-12,15,19H,2-6,13-14H2,1H3
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Similars
Article
PubMed
>2.50E+3n/an/an/an/an/an/an/an/a



Bayer HealthCare

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells

Bioorg Med Chem Lett 17: 673-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.095
BindingDB Entry DOI: 10.7270/Q2M9089N
More data for this
Ligand-Target Pair