Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50198515'   

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))	BDBM50198515 (2-(benzo[d][1,3]dioxol-5-yl)-5-cyclohexyl-1-(2,4-d...) Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc2OCOc2c1)-c1ccc(Cl)cc1Cl |(1.65,-45.35,;2.14,-46.81,;3.62,-47.28,;3.63,-48.83,;4.96,-49.59,;6.3,-48.83,;6.3,-47.28,;7.63,-46.51,;8.97,-47.29,;10.3,-46.53,;10.31,-44.99,;8.97,-44.22,;7.63,-44.98,;4.96,-46.5,;4.96,-44.96,;2.15,-49.31,;1.24,-48.07,;-.3,-48.08,;-1.05,-49.42,;-2.58,-49.44,;-3.37,-48.11,;-4.89,-47.8,;-5.06,-46.26,;-3.65,-45.62,;-2.61,-46.76,;-1.07,-46.76,;1.69,-50.78,;.18,-51.1,;-.29,-52.56,;.75,-53.7,;.28,-55.17,;2.26,-53.37,;2.72,-51.9,;4.22,-51.57,)| Show InChI InChI=1S/C27H26Cl2N2O3/c1-16-25-22(11-12-30(27(25)32)19-5-3-2-4-6-19)31(21-9-8-18(28)14-20(21)29)26(16)17-7-10-23-24(13-17)34-15-33-23/h7-10,13-14,19H,2-6,11-12,15H2,1H3	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	12	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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