Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50083873'   

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))	BDBM50083873 (CHEMBL161470 | N-[5-(1-Hydroxy-6,6,9-trimethyl-6a,...) Show SMILES CC(=O)NCCC#CCc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C23H29NO3/c1-15-9-10-19-18(12-15)22-20(26)13-17(14-21(22)27-23(19,3)4)8-6-5-7-11-24-16(2)25/h9,13-14,18-19,26H,7-8,10-12H2,1-4H3,(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	307	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Tested for binding affinity against Cannabinoid receptor 1 (CB1).				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
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