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BDBM50067632 3-{3-[4-(Benzothiazol-2-yl-methyl-amino)-piperidin-1-yl]-propyl}-2-(3,5-di-tert-butyl-4-hydroxy-phenyl)-thiazolidin-4-one::CHEMBL137094

SMILES: CN(C1CCN(CCCN2C(SCC2=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)CC1)c1nc2ccccc2s1

InChI Key: InChIKey=JQMDACVTWFQSGE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50067632   
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)		BDBM50067632
PNG
(3-{3-[4-(Benzothiazol-2-yl-methyl-amino)-piperidin...)
Show SMILES CN(C1CCN(CCCN2C(SCC2=O)c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C33H46N4O2S2/c1-32(2,3)24-19-22(20-25(29(24)39)33(4,5)6)30-37(28(38)21-40-30)16-10-15-36-17-13-23(14-18-36)35(7)31-34-26-11-8-9-12-27(26)41-31/h8-9,11-12,19-20,23,30,39H,10,13-18,21H2,1-7H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/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