Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50198526'   

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))	BDBM50198526 (5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(4-...) Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(cc1)C(F)(F)F)-c1ccc(Cl)cc1Cl |(24.84,-43.69,;25.32,-45.15,;26.8,-45.62,;26.81,-47.17,;28.14,-47.94,;29.49,-47.17,;29.49,-45.62,;30.82,-44.86,;32.15,-45.64,;33.48,-44.88,;33.49,-43.34,;32.16,-42.56,;30.82,-43.33,;28.14,-44.85,;28.14,-43.31,;25.34,-47.66,;24.42,-46.42,;22.88,-46.43,;22.11,-45.1,;20.57,-45.11,;19.81,-46.45,;20.6,-47.79,;22.14,-47.77,;18.27,-46.47,;16.73,-46.46,;18.28,-48.01,;18.27,-44.93,;24.87,-49.12,;23.36,-49.45,;22.9,-50.91,;23.93,-52.05,;23.47,-53.52,;25.44,-51.72,;25.91,-50.25,;27.41,-49.92,)| Show InChI InChI=1S/C27H25Cl2F3N2O/c1-16-24-23(13-14-33(26(24)35)20-5-3-2-4-6-20)34(22-12-11-19(28)15-21(22)29)25(16)17-7-9-18(10-8-17)27(30,31)32/h7-12,15,20H,2-6,13-14H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	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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