BDBM50421912 CHEMBL545447

SMILES: [O-][N+](=O)c1ccc(CCN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1

InChI Key: InChIKey=VMDLVEVOBUKRBG-GHTZIAJQSA-N

Data: 2 IC50

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 = 50421912   

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 non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50421912 (CHEMBL545447) Show SMILES [O-][N+](=O)c1ccc(CCN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1 |r| Show InChI InChI=1S/C21H24N2O2/c24-23(25)19-9-5-16(6-10-19)11-13-22-14-12-21-18(15-22)8-7-17-3-1-2-4-20(17)21/h1-6,9-10,18,21H,7-8,11-15H2/t18-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum				J Med Chem 35: 2025-33 (1992) BindingDB Entry DOI: 10.7270/Q2MP54K8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50421912 (CHEMBL545447) Show SMILES [O-][N+](=O)c1ccc(CCN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1 |r| Show InChI InChI=1S/C21H24N2O2/c24-23(25)19-9-5-16(6-10-19)11-13-22-14-12-21-18(15-22)8-7-17-3-1-2-4-20(17)21/h1-6,9-10,18,21H,7-8,11-15H2/t18-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	589	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H](-)-sulpiride binding to rat striatum dopamine receptor D2				J Med Chem 35: 2025-33 (1992) BindingDB Entry DOI: 10.7270/Q2MP54K8
					More data for this Ligand-Target Pair