Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50217224'   

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))	BDBM50217224 (CHEMBL387526 | N-{(1S,2S)-2-(3-cyanophenyl)-3-[4-(...) Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C#N)[C@@H](Cc1ccc(OCCF)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C29H29FN4O3/c1-20(34-28(35)29(2,3)37-27-12-9-23(18-32)19-33-27)26(24-6-4-5-22(15-24)17-31)16-21-7-10-25(11-8-21)36-14-13-30/h4-12,15,19-20,26H,13-14,16H2,1-3H3,(H,34,35)/t20-,26+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells				J Med Chem 50: 3427-30 (2007) Article DOI: 10.1021/jm070131b BindingDB Entry DOI: 10.7270/Q2Z037VJ
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