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BDBM50351989 CHEMBL1822596

SMILES: COc1cccc2C(CCCN3CCN(CC3)C3CCN(CCCCCCNS(=O)(=O)c4cccc5c(cccc45)N(C)C)CC3)CCCc12

InChI Key: InChIKey=ONHMLBMNJKTCQP-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50351989   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))		BDBM50351989
PNG
(CHEMBL1822596)
Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCN(CCCCCCNS(=O)(=O)c4cccc5c(cccc45)N(C)C)CC3)CCCc12
Show InChI InChI=1S/C41H61N5O3S/c1-43(2)39-19-9-18-38-36(39)16-11-21-41(38)50(47,48)42-24-6-4-5-7-25-44-27-22-34(23-28-44)46-31-29-45(30-32-46)26-12-14-33-13-8-17-37-35(33)15-10-20-40(37)49-3/h9-11,15-16,18-21,33-34,42H,4-8,12-14,17,22-32H2,1-3H3
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PC cid
PC sid
UniChem

Similars
Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]-pentazocine from sigma 1 receptor from guinea pig brain membrane

J Med Chem 54: 5858-67 (2011)


Article DOI: 10.1021/jm200591t
BindingDB Entry DOI: 10.7270/Q2KK9C5Z
More data for this
Ligand-Target Pair