Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50287930'   

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))	BDBM50287930 ((6aR,10aR)-3-(1,1-Dimethyl-heptyl)-1-hydroxy-6,6-d...) Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C=O)=CC[C@H]3C(C)(C)Oc2c1 |c:18| Show InChI InChI=1S/C25H36O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-16,19-20,27H,6-9,11-13H2,1-5H3/t19-,20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.				Bioorg Med Chem Lett 6: 189-194 (1996) Article DOI: 10.1016/0960-894X(95)00573-C BindingDB Entry DOI: 10.7270/Q2KS6RHX
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