Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50432189'   

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))	BDBM50432189 (CHEMBL2346981) Show SMILES Clc1ccc(Cn2cc(CC3=C(N=O)C4CCN3CC4)c3ccccc23)cc1 |c:10,(14.54,-59.36,;15.36,-58.05,;14.64,-56.69,;15.45,-55.39,;16.99,-55.44,;17.81,-54.14,;17.08,-52.78,;17.99,-51.53,;17.08,-50.29,;17.56,-48.82,;19.06,-48.5,;19.53,-47.05,;18.51,-45.9,;18.98,-44.44,;21.05,-46.73,;22.08,-47.88,;21.59,-49.34,;20.09,-49.66,;20.17,-48.02,;20.99,-47.96,;15.62,-50.76,;14.28,-50,;12.95,-50.77,;12.95,-52.31,;14.28,-53.08,;15.62,-52.3,;17.71,-56.8,;16.9,-58.1,)| Show InChI InChI=1S/C23H22ClN3O/c24-19-7-5-16(6-8-19)14-27-15-18(20-3-1-2-4-21(20)27)13-22-23(25-28)17-9-11-26(22)12-10-17/h1-8,15,17H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	96	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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