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BDBM50067629 2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-propyl]-thiazolidin-4-one::CHEMBL344472

SMILES: COc1cc2CCN(CCCN3C(SCC3=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)Cc2cc1OC

InChI Key: InChIKey=QQVFLDPVNBJVOR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50067629   
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)		BDBM50067629
PNG
(2-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-3-[3-(6,7-d...)
Show SMILES COc1cc2CCN(CCCN3C(SCC3=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)Cc2cc1OC
Show InChI InChI=1S/C31H44N2O4S/c1-30(2,3)23-14-21(15-24(28(23)35)31(4,5)6)29-33(27(34)19-38-29)12-9-11-32-13-10-20-16-25(36-7)26(37-8)17-22(20)18-32/h14-17,29,35H,9-13,18-19H2,1-8H3
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Article
PubMed
n/an/a 200n/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