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SMILES: Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccco1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=UTGGHWRFKOFSKZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50198528   
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))		BDBM50198528
PNG
(5-cyclohexyl-1-(2,4-dichlorophenyl)-2-(furan-2-yl)...)
Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccco1)-c1ccc(Cl)cc1Cl |(24.83,-8.63,;25.32,-10.09,;26.8,-10.56,;26.8,-12.11,;28.14,-12.88,;29.48,-12.11,;29.48,-10.56,;30.81,-9.8,;32.14,-10.58,;33.47,-9.82,;33.48,-8.28,;32.15,-7.5,;30.81,-8.27,;28.14,-9.79,;28.14,-8.25,;25.33,-12.6,;24.42,-11.35,;22.88,-11.37,;22,-12.61,;20.53,-12.15,;20.51,-10.61,;21.97,-10.12,;24.87,-14.06,;23.36,-14.38,;22.89,-15.85,;23.93,-16.99,;23.46,-18.45,;25.44,-16.65,;25.9,-15.19,;27.4,-14.85,)|
Show InChI InChI=1S/C24H24Cl2N2O2/c1-15-22-20(11-12-27(24(22)29)17-6-3-2-4-7-17)28(23(15)21-8-5-13-30-21)19-10-9-16(25)14-18(19)26/h5,8-10,13-14,17H,2-4,6-7,11-12H2,1H3
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Similars
Article
PubMed
n/an/a 20n/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