Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50392299'   

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 2 (Homo sapiens (Human))	BDBM50392299 (CHEMBL2153768) Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |r,w:12.12,c:29| Show InChI InChI=1S/C29H31ClN6O6S/c1-18(28(39)33-25(17-37)27(31)38)32-29(35-43(40,41)23-14-12-22(42-2)13-15-23)36-16-24(19-6-4-3-5-7-19)26(34-36)20-8-10-21(30)11-9-20/h3-15,18,24-25,37H,16-17H2,1-2H3,(H2,31,38)(H,32,35)(H,33,39)/t18-,24?,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jenrin Discovery Curated by ChEMBL					Assay Description Displacement of 3[H]ligand from recombinant human CB2 receptor				Bioorg Med Chem Lett 22: 6173-80 (2012) Article DOI: 10.1016/j.bmcl.2012.08.004 BindingDB Entry DOI: 10.7270/Q2BV7HR2
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