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SMILES: Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cc2ccccc2s1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=HNVUNBRGZKMDKG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50198514   
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))		BDBM50198514
PNG
(2-(benzo[b]thiophen-2-yl)-5-cyclohexyl-1-(2,4-dich...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1cc2ccccc2s1)-c1ccc(Cl)cc1Cl |(-.85,-21.19,;-.36,-22.65,;1.12,-23.12,;1.13,-24.67,;2.46,-25.44,;3.81,-24.67,;3.81,-23.13,;5.14,-22.36,;6.48,-23.14,;7.81,-22.38,;7.81,-20.84,;6.48,-20.06,;5.14,-20.83,;2.46,-22.35,;2.46,-20.81,;-.34,-25.16,;-1.26,-23.92,;-2.8,-23.93,;-3.68,-25.18,;-5.15,-24.72,;-6.47,-25.5,;-7.81,-24.74,;-7.82,-23.2,;-6.5,-22.42,;-5.16,-23.18,;-3.7,-22.69,;-.81,-26.63,;-2.32,-26.95,;-2.79,-28.41,;-1.75,-29.55,;-2.21,-31.02,;-.24,-29.22,;.22,-27.75,;1.73,-27.42,)|
Show InChI InChI=1S/C28H26Cl2N2OS/c1-17-26-23(13-14-31(28(26)33)20-8-3-2-4-9-20)32(22-12-11-19(29)16-21(22)30)27(17)25-15-18-7-5-6-10-24(18)34-25/h5-7,10-12,15-16,20H,2-4,8-9,13-14H2,1H3
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n/an/a 23n/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