BDBM50012205 CHEMBL3259963

SMILES: [Br-].CCN(CC)c1ccc2cc(\C=C\C3=[N+](CCCCCC(=O)NCCCCCCOc4cccc5C(CCCN6CCN(CC6)C6CCCCC6)CCCc45)c4ccccc4C3(C)C)c(=O)oc2c1

InChI Key: InChIKey=WWQDHTJKNKDESR-UHFFFAOYSA-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 = 50012205   

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 (Cavia porcellus (Guinea pig))	BDBM50012205 (CHEMBL3259963) Show SMILES [Br-].CCN(CC)c1ccc2cc(\C=C\C3=[N+](CCCCCC(=O)NCCCCCCOc4cccc5C(CCCN6CCN(CC6)C6CCCCC6)CCCc45)c4ccccc4C3(C)C)c(=O)oc2c1 |c:13| Show InChI InChI=1S/C60H83N5O4.BrH/c1-5-63(6-2)50-34-32-47-44-48(59(67)69-56(47)45-50)33-35-57-60(3,4)53-28-14-15-29-54(53)65(57)38-17-10-13-31-58(66)61-36-16-7-8-18-43-68-55-30-20-26-51-46(22-19-27-52(51)55)23-21-37-62-39-41-64(42-40-62)49-24-11-9-12-25-49;/h14-15,20,26,28-30,32-35,44-46,49H,5-13,16-19,21-25,27,31,36-43H2,1-4H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari ALDO MORO Curated by ChEMBL					Assay Description Displacement of (+)-[3H]pentazocine from Dunkin guinea pig brain sigma 1 receptor				J Med Chem 57: 3314-23 (2014) Article DOI: 10.1021/jm401874n BindingDB Entry DOI: 10.7270/Q2DB83DF
					More data for this Ligand-Target Pair