Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50308545'   

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))	BDBM50308545 (2-Chloro-7-methoxy-8-pentyloxy-1-quinoline-3-carbo...) Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(OC)cc3)c(Cl)nc12 Show InChI InChI=1S/C25H29ClN2O4/c1-4-5-6-15-32-23-21(31-3)12-9-18-16-20(24(26)28-22(18)23)25(29)27-14-13-17-7-10-19(30-2)11-8-17/h7-12,16H,4-6,13-15H2,1-3H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB1 receptor				Bioorg Med Chem 18: 2099-106 (2010) Article DOI: 10.1016/j.bmc.2010.02.011 BindingDB Entry DOI: 10.7270/Q2CN741B
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