Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50067738'   

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))	BDBM50067738 (6-((6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-6a,7,10,10...) Show SMILES CCN(CC)C(=O)CCCCC(C)(C)c1cc(O)c2[C@@H]3CC(C)=CC[C@H]3C(C)(C)Oc2c1 |c:22| Show InChI InChI=1S/C28H43NO3/c1-8-29(9-2)25(31)12-10-11-15-27(4,5)20-17-23(30)26-21-16-19(3)13-14-22(21)28(6,7)32-24(26)18-20/h13,17-18,21-22,30H,8-12,14-16H2,1-7H3/t21-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix, Inc. Curated by ChEMBL					Assay Description Evaluated for its binding affinity towards Cannabinoid receptor 1 (CB1)				J Med Chem 41: 4400-7 (1998) Article DOI: 10.1021/jm9803875 BindingDB Entry DOI: 10.7270/Q2M909CZ
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