Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50380862'   

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))	BDBM50380862 (CHEMBL2018665) Show SMILES CC(C)(NC(=O)c1cc2CCCCCCc2n(CC2CCCCC2)c1=O)C(=O)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C29H43N3O5/c1-29(2,28(37)31-16-14-21(15-17-31)27(35)36)30-25(33)23-18-22-12-8-3-4-9-13-24(22)32(26(23)34)19-20-10-6-5-7-11-20/h18,20-21H,3-17,19H2,1-2H3,(H,30,33)(H,35,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from recombinant human CB1 receptor by scatchard plot analysis				Bioorg Med Chem Lett 22: 2894-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.054 BindingDB Entry DOI: 10.7270/Q2NV9K85
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