Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50553586'   

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))	BDBM50553586 (CHEMBL4794483) Show SMILES Clc1ccc(Cn2cc(\C=C3/N4CCC(CC4)C3=O)c3cccnc23)cc1 |(42.77,-16.76,;44.11,-16,;44.13,-14.46,;45.47,-13.71,;46.79,-14.5,;48.13,-13.74,;48.14,-12.21,;49.05,-10.96,;48.14,-9.7,;48.13,-8.16,;49.45,-7.38,;50.8,-8.14,;52.12,-7.36,;52.11,-5.82,;50.77,-5.06,;51.53,-6.39,;50.04,-6.78,;49.44,-5.84,;48.1,-5.08,;46.67,-10.19,;45.32,-9.41,;43.99,-10.19,;43.99,-11.74,;45.33,-12.51,;46.67,-11.73,;46.78,-16.03,;45.45,-16.78,)| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	704	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CP-55940 from CB1 receptor (unknown origin) by competitive binding assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127501 BindingDB Entry DOI: 10.7270/Q2NV9NW2
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