BDBM50251222 CHEMBL4076606

SMILES: CCOC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1

InChI Key: InChIKey=MQVFMLRFITXVFG-YKSBVNFPSA-N

Data: 1 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 1 hit for monomerid = 50251222   

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))	BDBM50251222 (CHEMBL4076606) Show SMILES CCOC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C24H28ClNO3/c1-2-29-22(27)24(19-6-4-3-5-7-19)16-20(24)17-26-14-12-23(28,13-15-26)18-8-10-21(25)11-9-18/h3-11,20,28H,2,12-17H2,1H3/t20-,24+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Scienze del Farmaco, Università di Catania , Viale A. Doria 6, 95125 Catania, Italy. Curated by ChEMBL					Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting method				J Med Chem 61: 372-384 (2018) Article DOI: 10.1021/acs.jmedchem.7b01584 BindingDB Entry DOI: 10.7270/Q2319Z9X
					More data for this Ligand-Target Pair