BDBM50296168 4-(8-benzyl-5-cyano-3,3-dimethyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-N-propylpiperazine-1-carboxamide::CHEMBL559476

SMILES: CCCNC(=O)N1CCN(CC1)c1nc(Cc2ccccc2)c2COC(C)(C)Cc2c1C#N

InChI Key: InChIKey=PSLLOACYOKFJMA-UHFFFAOYSA-N

Data: 1 KI

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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 = 50296168   

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))	BDBM50296168 (4-(8-benzyl-5-cyano-3,3-dimethyl-3,4-dihydro-1H-py...) Show SMILES CCCNC(=O)N1CCN(CC1)c1nc(Cc2ccccc2)c2COC(C)(C)Cc2c1C#N Show InChI InChI=1S/C26H33N5O2/c1-4-10-28-25(32)31-13-11-30(12-14-31)24-21(17-27)20-16-26(2,3)33-18-22(20)23(29-24)15-19-8-6-5-7-9-19/h5-9H,4,10-16,18H2,1-3H3,(H,28,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 4183-90 (2009) Article DOI: 10.1016/j.bmcl.2009.05.114 BindingDB Entry DOI: 10.7270/Q2XP75VT
					More data for this Ligand-Target Pair