Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50083870'   

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))	BDBM50083870 (1-Methoxy-6,6,9-trimethyl-3-oct-2-ynyl-6a,7,10,10a...) Show SMILES CCCCCC#CCc1cc(OC)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:17| Show InChI InChI=1S/C25H34O2/c1-6-7-8-9-10-11-12-19-16-22(26-5)24-20-15-18(2)13-14-21(20)25(3,4)27-23(24)17-19/h13,16-17,20-21H,6-9,12,14-15H2,1-5H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	189	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
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