Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50083867'   

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))	BDBM50083867 (3-(6-Methoxy-hex-2-enyl)-6,6,9-trimethyl-6a,7,10,1...) Show SMILES COCCC\C=C\Cc1cc(O)c2C3CC(C)=CCC3C(C)(C)Oc2c1 |c:16| Show InChI InChI=1S/C23H32O3/c1-16-10-11-19-18(13-16)22-20(24)14-17(9-7-5-6-8-12-25-4)15-21(22)26-23(19,2)3/h5,7,10,14-15,18-19,24H,6,8-9,11-13H2,1-4H3/b7-5+	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	11.5	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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