Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50083847'   

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))	BDBM50083847 (6,6,9-Trimethyl-3-(7-nitro-hept-2-enyl)-6a,7,10,10...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(C\C=C\CCCC[N+]([O-])=O)cc1OC2(C)C |t:1| Show InChI InChI=1S/C23H31NO4/c1-16-10-11-19-18(13-16)22-20(25)14-17(15-21(22)28-23(19,2)3)9-7-5-4-6-8-12-24(26)27/h5,7,10,14-15,18-19,25H,4,6,8-9,11-13H2,1-3H3/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	3.56	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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