BDBM50325894 CHEMBL1224615::N-(3-((6-(benzo[d][1,3]dioxol-4-yl)pyridin-2-yl)methyl)-1-methyl-1H-indol-5-yl)-3-hydroxy-3-methylbutanamide

SMILES: Cn1cc(Cc2cccc(n2)-c2cccc3OCOc23)c2cc(NC(=O)CC(C)(C)O)ccc12

InChI Key: InChIKey=VKKPZNVBRKYDRR-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50325894   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50325894 (CHEMBL1224615 | N-(3-((6-(benzo[d][1,3]dioxol-4-yl...) Show SMILES Cn1cc(Cc2cccc(n2)-c2cccc3OCOc23)c2cc(NC(=O)CC(C)(C)O)ccc12 Show InChI InChI=1S/C27H27N3O4/c1-27(2,32)14-25(31)29-19-10-11-23-21(13-19)17(15-30(23)3)12-18-6-4-8-22(28-18)20-7-5-9-24-26(20)34-16-33-24/h4-11,13,15,32H,12,14,16H2,1-3H3,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay				Bioorg Med Chem Lett 20: 5449-53 (2010) Article DOI: 10.1016/j.bmcl.2010.07.091 BindingDB Entry DOI: 10.7270/Q2SN0958
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