Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50144611'   

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))	BDBM50144611 (CHEMBL3758491) Show SMILES CC(C)CS(=O)(=O)N1CCC(CC1)NC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl3N4O3S/c1-16(2)15-37(35,36)32-12-10-21(11-13-32)30-26(34)24-17(3)25(18-4-6-19(27)7-5-18)33(31-24)23-9-8-20(28)14-22(23)29/h4-9,14,16,21H,10-13,15H2,1-3H3,(H,30,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes				Bioorg Med Chem 24: 1063-70 (2016) Article DOI: 10.1016/j.bmc.2016.01.033 BindingDB Entry DOI: 10.7270/Q2GB25WW
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