Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50543752'   

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))	BDBM50543752 (CHEMBL4640400) Show SMILES CCCCCc1cc(OCC)cc(OCCCCCCCCCCC(=O)NC2CC2)c1 Show InChI InChI=1S/C27H45NO3/c1-3-5-12-15-23-20-25(30-4-2)22-26(21-23)31-19-14-11-9-7-6-8-10-13-16-27(29)28-24-17-18-24/h20-22,24H,3-19H2,1-2H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HEK cell membrane				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115513 BindingDB Entry DOI: 10.7270/Q2R49VB2
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