BDBM50418203 CHEMBL1760644

SMILES: CC(O)C1(CNC(=O)c2cc3cc(ccc3n2Cc2cccc(OC(F)(F)F)c2)C#N)CCCC1

InChI Key: InChIKey=WWKJQFRXXDDEDF-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 = 50418203   

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))	BDBM50418203 (CHEMBL1760644) Show SMILES CC(O)C1(CNC(=O)c2cc3cc(ccc3n2Cc2cccc(OC(F)(F)F)c2)C#N)CCCC1 Show InChI InChI=1S/C26H26F3N3O3/c1-17(33)25(9-2-3-10-25)16-31-24(34)23-13-20-11-18(14-30)7-8-22(20)32(23)15-19-5-4-6-21(12-19)35-26(27,28)29/h4-8,11-13,17,33H,2-3,9-10,15-16H2,1H3,(H,31,34)	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	5.13	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Antagonist activity against human CB1 receptor				Bioorg Med Chem Lett 21: 2034-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM
					More data for this Ligand-Target Pair