Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50198534'   

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))	BDBM50198534 (5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(4-...) Show SMILES CSc1ccc(cc1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccc(Cl)cc1Cl |(-8.64,-20.29,;-7.85,-21.62,;-6.32,-21.6,;-5.55,-20.26,;-4.02,-20.25,;-3.24,-21.58,;-3.99,-22.92,;-5.53,-22.94,;-1.7,-21.57,;-.8,-20.3,;-1.29,-18.84,;.68,-20.77,;.68,-22.32,;2.02,-23.09,;3.36,-22.32,;3.36,-20.77,;4.69,-20.01,;6.03,-20.79,;7.36,-20.03,;7.37,-18.49,;6.04,-17.71,;4.69,-18.48,;2.02,-20,;2.02,-18.46,;-.79,-22.81,;-1.26,-24.27,;-2.76,-24.6,;-3.23,-26.06,;-2.19,-27.2,;-2.66,-28.67,;-.68,-26.87,;-.22,-25.4,;1.28,-25.07,)| Show InChI InChI=1S/C27H28Cl2N2OS/c1-17-25-24(14-15-30(27(25)32)20-6-4-3-5-7-20)31(23-13-10-19(28)16-22(23)29)26(17)18-8-11-21(33-2)12-9-18/h8-13,16,20H,3-7,14-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells				Bioorg Med Chem Lett 17: 673-8 (2007) Article DOI: 10.1016/j.bmcl.2006.10.095 BindingDB Entry DOI: 10.7270/Q2M9089N
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