Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50297594'   

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))	BDBM50297594 (1-(cyclopropylmethyl)-5-(2-methoxyethylsulfonyl)-2...) Show SMILES COCCS(=O)(=O)N1CCc2c(C1)nc(CC(C)(C)C)n2CC1CC1 Show InChI InChI=1S/C18H31N3O3S/c1-18(2,3)11-17-19-15-13-20(25(22,23)10-9-24-4)8-7-16(15)21(17)12-14-5-6-14/h14H,5-13H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a
Pfizer Discovery Chemistry Curated by ChEMBL					Assay Description Agonist activity at human recombinant CB1 receptor expressed in CHO cells by FLIPR assay				Bioorg Med Chem Lett 19: 4406-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.062 BindingDB Entry DOI: 10.7270/Q28G8KRV
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