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BDBM50016296 CHEMBL3262793

SMILES: COc1cc2CCN(CCCCNC(=O)c3cc(ccc3OCCF)-n3cc(CN(C)C)nn3)Cc2cc1OC

InChI Key: InChIKey=LPNZKYXKEKMCLP-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016296   
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))		BDBM50016296
PNG
(CHEMBL3262793)
Show SMILES COc1cc2CCN(CCCCNC(=O)c3cc(ccc3OCCF)-n3cc(CN(C)C)nn3)Cc2cc1OC
Show InChI InChI=1S/C29H39FN6O4/c1-34(2)19-23-20-36(33-32-23)24-7-8-26(40-14-10-30)25(17-24)29(37)31-11-5-6-12-35-13-9-21-15-27(38-3)28(39-4)16-22(21)18-35/h7-8,15-17,20H,5-6,9-14,18-19H2,1-4H3,(H,31,37)
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UniChem

Similars
Article
PubMed
 2.19E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting anal...

J Med Chem 57: 4239-51 (2014)


Article DOI: 10.1021/jm5001453
BindingDB Entry DOI: 10.7270/Q20P11KX
More data for this
Ligand-Target Pair