Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50198506'   

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))	BDBM50198506 (2-(4-aminophenyl)-5-cyclohexyl-1-(2,4-dichlorophen...) Show SMILES Cc1c2c(CCN(C3CCCCC3)C2=O)n(c1-c1ccc(N)cc1)-c1ccc(Cl)cc1Cl |(-1.95,-6.91,;-1.46,-8.37,;.02,-8.84,;.03,-10.39,;1.36,-11.16,;2.7,-10.39,;2.7,-8.84,;4.03,-8.07,;5.37,-8.86,;6.7,-8.1,;6.71,-6.56,;5.38,-5.78,;4.04,-6.55,;1.36,-8.06,;1.36,-6.53,;-1.45,-10.88,;-2.36,-9.63,;-3.9,-9.65,;-4.67,-8.32,;-6.21,-8.33,;-6.97,-9.67,;-8.51,-9.69,;-6.19,-11,;-4.65,-10.99,;-1.91,-12.34,;-3.42,-12.66,;-3.89,-14.13,;-2.85,-15.27,;-3.32,-16.74,;-1.34,-14.93,;-.88,-13.47,;.62,-13.14,)| Show InChI InChI=1S/C26H27Cl2N3O/c1-16-24-23(13-14-30(26(24)32)20-5-3-2-4-6-20)31(22-12-9-18(27)15-21(22)28)25(16)17-7-10-19(29)11-8-17/h7-12,15,20H,2-6,13-14,29H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	920	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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