Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50198505'   

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))	BDBM50198505 (5-cyclohexyl-1-(2,4-dichlorophenyl)-2-(3-methoxyph...) Show SMILES COc1cccc(c1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccc(Cl)cc1Cl |(-5.69,-31.13,;-6.45,-32.47,;-5.67,-33.8,;-6.43,-35.14,;-5.65,-36.47,;-4.11,-36.45,;-3.36,-35.11,;-4.14,-33.79,;-1.82,-35.1,;-.92,-33.84,;-1.41,-32.38,;.56,-34.31,;.56,-35.86,;1.9,-36.63,;3.24,-35.86,;3.24,-34.31,;4.57,-33.54,;5.91,-34.33,;7.24,-33.56,;7.25,-32.02,;5.92,-31.25,;4.57,-32.01,;1.9,-33.53,;1.9,-31.99,;-.91,-36.34,;-1.37,-37.81,;-2.88,-38.13,;-3.35,-39.6,;-2.31,-40.74,;-2.78,-42.2,;-.8,-40.4,;-.34,-38.94,;1.16,-38.6,)| Show InChI InChI=1S/C27H28Cl2N2O2/c1-17-25-24(13-14-30(27(25)32)20-8-4-3-5-9-20)31(23-12-11-19(28)16-22(23)29)26(17)18-7-6-10-21(15-18)33-2/h6-7,10-12,15-16,20H,3-5,8-9,13-14H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	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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