Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50198520'   

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))	BDBM50198520 (4-(5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-4-...) Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(cc1)C(O)=O)-c1ccc(Cl)cc1Cl |(24.49,-7.15,;24.97,-8.61,;26.45,-9.08,;26.46,-10.63,;27.79,-11.4,;29.13,-10.63,;29.13,-9.08,;30.47,-8.31,;31.8,-9.1,;33.13,-8.34,;33.14,-6.8,;31.81,-6.02,;30.47,-6.79,;27.79,-8.3,;27.79,-6.76,;24.99,-11.11,;24.07,-9.87,;22.53,-9.88,;21.76,-8.56,;20.22,-8.57,;19.46,-9.91,;20.25,-11.24,;21.78,-11.22,;17.92,-9.93,;17.14,-8.6,;17.16,-11.27,;24.52,-12.58,;23.01,-12.9,;22.55,-14.37,;23.58,-15.51,;23.12,-16.98,;25.09,-15.17,;25.55,-13.71,;27.06,-13.37,)| Show InChI InChI=1S/C27H26Cl2N2O3/c1-16-24-23(13-14-30(26(24)32)20-5-3-2-4-6-20)31(22-12-11-19(28)15-21(22)29)25(16)17-7-9-18(10-8-17)27(33)34/h7-12,15,20H,2-6,13-14H2,1H3,(H,33,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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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