Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50208953'   

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))	BDBM50208953 (CHEMBL229858 | N-((1S,2S)-2-aminocyclohexyl)-1-(4-...) Show SMILES N[C@H]1CCCC[C@@H]1NC(=O)c1cn(c(n1)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H21Cl3N4O/c23-13-5-8-15(9-6-13)29-12-20(22(30)28-19-4-2-1-3-18(19)26)27-21(29)16-10-7-14(24)11-17(16)25/h5-12,18-19H,1-4,26H2,(H,28,30)/t18-,19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	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]CP559440 from human CB1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 17: 2706-11 (2007) Article DOI: 10.1016/j.bmcl.2007.03.011 BindingDB Entry DOI: 10.7270/Q2H70FGB
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