Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50198538'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50198538 (5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(th...) Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccsc1)-c1ccc(Cl)cc1Cl |(24.2,6.05,;24.68,4.59,;26.16,4.12,;26.17,2.57,;27.5,1.8,;28.84,2.57,;28.84,4.12,;30.18,4.89,;31.51,4.1,;32.84,4.86,;32.85,6.4,;31.52,7.18,;30.18,6.41,;27.5,4.9,;27.5,6.44,;24.7,2.09,;23.78,3.33,;22.25,3.32,;21.33,4.56,;19.87,4.08,;19.89,2.54,;21.36,2.08,;24.23,.62,;22.73,.3,;22.26,-1.16,;23.29,-2.3,;22.83,-3.77,;24.8,-1.97,;25.26,-.5,;26.77,-.17,)| Show InChI InChI=1S/C24H24Cl2N2OS/c1-15-22-21(9-11-27(24(22)29)18-5-3-2-4-6-18)28(23(15)16-10-12-30-14-16)20-8-7-17(25)13-19(20)26/h7-8,10,12-14,18H,2-6,9,11H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/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
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