Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50198517'   

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))	BDBM50198517 (5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-p-t...) Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(C)cc1)-c1ccc(Cl)cc1Cl |(.74,-41.76,;1.22,-43.22,;2.7,-43.69,;2.71,-45.24,;4.04,-46.01,;5.39,-45.24,;5.39,-43.69,;6.72,-42.92,;8.05,-43.71,;9.38,-42.95,;9.39,-41.41,;8.06,-40.63,;6.72,-41.4,;4.04,-42.91,;4.05,-41.37,;1.24,-45.72,;.32,-44.48,;-1.22,-44.49,;-1.99,-43.17,;-3.53,-43.18,;-4.29,-44.52,;-5.83,-44.54,;-3.5,-45.85,;-1.96,-45.83,;.77,-47.19,;-.73,-47.51,;-1.2,-48.98,;-.17,-50.12,;-.63,-51.58,;1.34,-49.78,;1.81,-48.32,;3.31,-47.98,)| Show InChI InChI=1S/C27H28Cl2N2O/c1-17-8-10-19(11-9-17)26-18(2)25-24(31(26)23-13-12-20(28)16-22(23)29)14-15-30(27(25)32)21-6-4-3-5-7-21/h8-13,16,21H,3-7,14-15H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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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