BDBM50418019 CHEMBL1682263

SMILES: CC(=O)N[C@@H]1CCN(Cc2nc(ns2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)C1

InChI Key: InChIKey=ROUPZODBFCCUFW-QGZVFWFLSA-N

Data: 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 1 hit for monomerid = 50418019   

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))	BDBM50418019 (CHEMBL1682263) Show SMILES CC(=O)N[C@@H]1CCN(Cc2nc(ns2)-c2cn(CC3CCOCC3)c3c(Cl)cccc23)C1 |r| Show InChI InChI=1S/C23H28ClN5O2S/c1-15(30)25-17-5-8-28(12-17)14-21-26-23(27-32-21)19-13-29(11-16-6-9-31-10-7-16)22-18(19)3-2-4-20(22)24/h2-4,13,16-17H,5-12,14H2,1H3,(H,25,30)/t17-/m1/s1	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	n/a	n/a	794	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assay				Bioorg Med Chem Lett 21: 1748-53 (2011) Article DOI: 10.1016/j.bmcl.2011.01.082 BindingDB Entry DOI: 10.7270/Q2HD7WWG
					More data for this Ligand-Target Pair