Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50205164'   

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))	BDBM50205164 (CHEMBL230715 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...) Show SMILES C[C@H](NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C25H19ClF6N2O2S/c1-15(23(10-16-5-7-21(26)8-6-16)18-4-2-3-17(9-18)14-33)34-37(35,36)22-12-19(24(27,28)29)11-20(13-22)25(30,31)32/h2-9,11-13,15,23,34H,10H2,1H3/t15-,23+/m0/s1	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	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 2184-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.087 BindingDB Entry DOI: 10.7270/Q2HM584G
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