Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50258653'   

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))	BDBM50258653 (CHEMBL512063 | trans-N-(4-Methylcyclohexyl)-1-(p-f...) Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O |r,wU:4.7,wD:1.0,(18.09,5.74,;16.75,4.97,;15.42,5.74,;14.08,4.97,;14.08,3.44,;15.42,2.67,;16.75,3.43,;12.75,2.67,;11.42,3.44,;11.41,4.98,;10.09,2.66,;8.73,3.44,;7.4,2.65,;6.06,3.42,;4.73,2.64,;4.73,1.1,;6.07,.33,;7.4,1.1,;8.75,.33,;8.75,-1.21,;10.09,-1.97,;10.09,-3.5,;11.42,-4.27,;12.75,-3.49,;14.09,-4.25,;12.74,-1.96,;11.42,-1.2,;10.09,1.11,;11.43,.34,)| Show InChI InChI=1S/C23H24FN3O2/c1-15-4-10-19(11-5-15)26-22(28)20-13-17-3-2-12-25-21(17)27(23(20)29)14-16-6-8-18(24)9-7-16/h2-3,6-9,12-13,15,19H,4-5,10-11,14H2,1H3,(H,26,28)/t15-,19-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells				J Med Chem 52: 3644-51 (2009) Article DOI: 10.1021/jm801563d BindingDB Entry DOI: 10.7270/Q2X0680K
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