BDBM50156116 CHEMBL3781224

SMILES: COc1ccc2-c3c(cnn3CCN3CCN(CC3)C(=O)c3cccs3)C(C)(C)Oc2c1

InChI Key: InChIKey=OMNFAFXJJUAYRX-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 2 hits for monomerid = 50156116   

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))	BDBM50156116 (CHEMBL3781224) Show SMILES COc1ccc2-c3c(cnn3CCN3CCN(CC3)C(=O)c3cccs3)C(C)(C)Oc2c1 Show InChI InChI=1S/C24H28N4O3S/c1-24(2)19-16-25-28(22(19)18-7-6-17(30-3)15-20(18)31-24)13-10-26-8-11-27(12-9-26)23(29)21-5-4-14-32-21/h4-7,14-16H,8-13H2,1-3H3	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
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM50156116 (CHEMBL3781224) Show SMILES COc1ccc2-c3c(cnn3CCN3CCN(CC3)C(=O)c3cccs3)C(C)(C)Oc2c1 Show InChI InChI=1S/C24H28N4O3S/c1-24(2)19-16-25-28(22(19)18-7-6-17(30-3)15-20(18)31-24)13-10-26-8-11-27(12-9-26)23(29)21-5-4-14-32-21/h4-7,14-16H,8-13H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...				J Med Chem 59: 1840-53 (2016) BindingDB Entry DOI: 10.7270/Q2BK1F8X
					More data for this Ligand-Target Pair