BDBM50257607 CHEMBL4104806

SMILES: CSc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=MPYJGNDQTUGNOI-UHFFFAOYSA-N

Data: 1 IC50  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 = 50257607   

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 2 (Homo sapiens (Human))	BDBM50257607 (CHEMBL4104806) Show SMILES CSc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:23.24.29:30,THB:25:24:30:31.26.27,27:26:23:29.28.30,27:28:23:31.25.26| Show InChI InChI=1S/C26H35N3O2S/c1-32-23-4-2-3-21-22(17-29(24(21)23)6-5-28-7-9-31-10-8-28)25(30)27-26-14-18-11-19(15-26)13-20(12-18)16-26/h2-4,17-20H,5-16H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang Curated by ChEMBL					Assay Description Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...				J Med Chem 60: 7067-7083 (2017) Article DOI: 10.1021/acs.jmedchem.7b00724 BindingDB Entry DOI: 10.7270/Q20K2C17
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50257607 (CHEMBL4104806) Show SMILES CSc1cccc2c(cn(CCN3CCOCC3)c12)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:25:26:23.24.29:30,THB:25:24:30:31.26.27,27:26:23:29.28.30,27:28:23:31.25.26| Show InChI InChI=1S/C26H35N3O2S/c1-32-23-4-2-3-21-22(17-29(24(21)23)6-5-28-7-9-31-10-8-28)25(30)27-26-14-18-11-19(15-26)13-20(12-18)16-26/h2-4,17-20H,5-16H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University , 3663 North Zhongshan Road, Shang Curated by ChEMBL					Assay Description Antagonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of CP55940-induced Ca2+ flux preincubated for 10 mins followe...				J Med Chem 60: 7067-7083 (2017) Article DOI: 10.1021/acs.jmedchem.7b00724 BindingDB Entry DOI: 10.7270/Q20K2C17
					More data for this Ligand-Target Pair