BDBM50156117 CHEMBL3781036

SMILES: COc1ccc2-c3c(cnn3CCN3CCN(CC3)C(=O)c3ccccc3)C(C)(C)Oc2c1

InChI Key: InChIKey=VNHMVXGWVQNAGP-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50156117   

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))	BDBM50156117 (CHEMBL3781036) Show SMILES COc1ccc2-c3c(cnn3CCN3CCN(CC3)C(=O)c3ccccc3)C(C)(C)Oc2c1 Show InChI InChI=1S/C26H30N4O3/c1-26(2)22-18-27-30(24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h4-10,17-18H,11-16H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer				J Med Chem 59: 1840-53 (2016) BindingDB Entry DOI: 10.7270/Q2BK1F8X
					More data for this Ligand-Target Pair