Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50277308'   

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))	BDBM50277308 (2-tert-butyl-3,3-dimethyl-N-(4-methyl-3-(morpholin...) Show SMILES Cc1ccc(NC(=O)C(C(C)(C)C)C(C)(C)C)cc1S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C21H34N2O4S/c1-15-8-9-16(22-19(24)18(20(2,3)4)21(5,6)7)14-17(15)28(25,26)23-10-12-27-13-11-23/h8-9,14,18H,10-13H2,1-7H3,(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human cloned CB1 receptor by scintillation spectrometry				Bioorg Med Chem Lett 19: 309-13 (2008) Article DOI: 10.1016/j.bmcl.2008.11.091 BindingDB Entry DOI: 10.7270/Q2G73DK3
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