Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50306010'   

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))	BDBM50306010 (CHEMBL595452 | cis-4-chloro-2-(2-fluorophenylsulfo...) Show SMILES Fc1ccccc1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[C@H](CC1)NS(=O)(=O)C(F)(F)F |r,wU:21.22,24.29,(-5.42,-13.01,;-6.76,-12.25,;-8.1,-13.02,;-9.43,-12.25,;-9.43,-10.7,;-8.1,-9.93,;-6.77,-10.7,;-5.43,-9.92,;-5.04,-11.4,;-3.95,-10.31,;-5.44,-8.38,;-6.77,-7.63,;-6.78,-6.09,;-8.12,-5.33,;-5.45,-5.31,;-4.11,-6.08,;-4.11,-7.61,;-2.77,-8.38,;-3.18,-9.86,;-1.45,-9.15,;-2.01,-7.04,;-.47,-7.02,;.27,-5.68,;1.81,-5.67,;2.6,-7,;1.83,-8.34,;.3,-8.35,;4.13,-7.03,;4.93,-5.71,;3.6,-4.9,;4.95,-4.16,;6.47,-5.74,;7.27,-4.42,;7.21,-7.09,;8,-5.77,)| Show InChI InChI=1S/C19H19ClF4N2O6S3/c20-12-5-10-17(18(11-12)33(27,28)16-4-2-1-3-15(16)21)34(29,30)25-13-6-8-14(9-7-13)26-35(31,32)19(22,23)24/h1-5,10-11,13-14,25-26H,6-9H2/t13-,14+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 20: 608-11 (2010) Article DOI: 10.1016/j.bmcl.2009.11.084 BindingDB Entry DOI: 10.7270/Q2SB45V0
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