Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50222802'   

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))	BDBM50222802 (2-cyclopentyl-4-(ethylsulfonyl)-N-isopropyl-N-meth...) Show SMILES CCS(=O)(=O)n1c2CN(Cc2c2cc(ccc12)C(=O)N(C)C(C)C)C1CCCC1 Show InChI InChI=1S/C22H31N3O3S/c1-5-29(27,28)25-20-11-10-16(22(26)23(4)15(2)3)12-18(20)19-13-24(14-21(19)25)17-8-6-7-9-17/h10-12,15,17H,5-9,13-14H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 17: 6183-7 (2007) Article DOI: 10.1016/j.bmcl.2007.09.019 BindingDB Entry DOI: 10.7270/Q2TH8MD3
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