Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50392290'   

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))	BDBM50392290 (CHEMBL2153759) Show SMILES COc1ccc(cc1)S(=O)(=O)NC(=NCC(N)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:13.14,c:22| Show InChI InChI=1S/C25H24ClN5O4S/c1-35-20-11-13-21(14-12-20)36(33,34)30-25(28-15-23(27)32)31-16-22(17-5-3-2-4-6-17)24(29-31)18-7-9-19(26)10-8-18/h2-14,22H,15-16H2,1H3,(H2,27,32)(H,28,30)	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	100	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 CB1 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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