Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50432196'   

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 (Mus musculus (Mouse))	BDBM50432196 (CHEMBL2346668) Show SMILES Brc1ccccc1Cn1cc(C=C2N3CCC(CC3)C2=O)c2ccccc12 |w:11.11,(29.07,-25.6,;27.53,-25.55,;26.72,-26.85,;25.18,-26.81,;24.46,-25.44,;25.27,-24.14,;26.81,-24.2,;27.63,-22.89,;26.9,-21.53,;27.81,-20.29,;26.9,-19.04,;27.38,-17.57,;28.88,-17.25,;29.91,-18.41,;31.41,-18.09,;31.89,-16.63,;30.87,-15.48,;30.81,-16.72,;29.99,-16.78,;29.35,-15.8,;28.33,-14.65,;25.44,-19.52,;24.1,-18.75,;22.77,-19.52,;22.77,-21.07,;24.1,-21.84,;25.44,-21.06,)| Show InChI InChI=1S/C23H21BrN2O/c24-20-7-3-1-5-17(20)14-26-15-18(19-6-2-4-8-21(19)26)13-22-23(27)16-9-11-25(22)12-10-16/h1-8,13,15-16H,9-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	629	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP 55940 from CB1 receptor in mouse whole brain membrane homogenates after 90 mins by liquid scintillation counting				Bioorg Med Chem Lett 23: 2019-21 (2013) Article DOI: 10.1016/j.bmcl.2013.02.025 BindingDB Entry DOI: 10.7270/Q2WS8VM2
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