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BDBM50067636 3-(3-{[3-(Benzo[1,3]dioxol-5-yloxy)-2-hydroxy-propyl]-methyl-amino}-propyl)-2-(3,5-di-tert-butyl-4-hydroxy-phenyl)-thiazolidin-4-one::CHEMBL137324

SMILES: CN(CCCN1C(SCC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)CC(O)COc1ccc2OCOc2c1

InChI Key: InChIKey=VLRKCLYSNVDLNZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50067636   
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
Calcium channel


(RAT)		BDBM50067636
PNG
(3-(3-{[3-(Benzo[1,3]dioxol-5-yloxy)-2-hydroxy-prop...)
Show SMILES CN(CCCN1C(SCC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)CC(O)COc1ccc2OCOc2c1
Show InChI InChI=1S/C31H44N2O6S/c1-30(2,3)23-13-20(14-24(28(23)36)31(4,5)6)29-33(27(35)18-40-29)12-8-11-32(7)16-21(34)17-37-22-9-10-25-26(15-22)39-19-38-25/h9-10,13-15,21,29,34,36H,8,11-12,16-19H2,1-7H3
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Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Chugai Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of K+ induced contractions of the isolated rat aorta.

J Med Chem 41: 4309-16 (1998)


Article DOI: 10.1021/jm980335f
BindingDB Entry DOI: 10.7270/Q23N22JV
More data for this
Ligand-Target Pair