BDBM50540778 CHEMBL4647197

SMILES: [O-][N+](=O)Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1

InChI Key: InChIKey=LDGOGNWRWXTDHT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50540778   

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
Sigma-1 receptor (Cavia porcellus (Guinea pig))	BDBM50540778 (CHEMBL4647197) Show SMILES [O-][N+](=O)Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H23N3O4/c24-20(14-16-6-8-19(9-7-16)27-23(25)26)21-18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18H,10-15H2,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes incubated for 1 hr by liquid scintillation counting method				ACS Med Chem Lett 11: 889-894 (2020)
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50540778 (CHEMBL4647197) Show SMILES [O-][N+](=O)Oc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C20H23N3O4/c24-20(14-16-6-8-19(9-7-16)27-23(25)26)21-18-10-12-22(13-11-18)15-17-4-2-1-3-5-17/h1-9,18H,10-15H2,(H,21,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor (unknown origin) incubated for 1 hr in presence of (+)SKF10047 by liquid scintillation ...				ACS Med Chem Lett 11: 889-894 (2020)
					More data for this Ligand-Target Pair