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BDBM50002613 2,6-Dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-(tetrahydro-pyran-2-ylmethyl) ester 5-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl) ester::CHEMBL312276

SMILES: CC1=NC(C)=C(C(C1C(=O)OCC1CCCCO1)c1ccccc1C(F)(F)F)C(=O)OCN1C(=O)c2ccccc2S1(=O)=O

InChI Key: InChIKey=ZTOUKEBADSISOK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50002613   
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
Voltage-gated L-type calcium channel alpha-1C subunit


(Oryctolagus cuniculus)
BDBM50002613
PNG
(2,6-Dimethyl-4-(2-trifluoromethyl-phenyl)-1,4-dihy...)
Show SMILES CC1=NC(C)=C(C(C1C(=O)OCC1CCCCO1)c1ccccc1C(F)(F)F)C(=O)OCN1C(=O)c2ccccc2S1(=O)=O |c:4,t:1|
Show InChI InChI=1S/C30H29F3N2O8S/c1-17-24(28(37)42-15-19-9-7-8-14-41-19)26(20-10-3-5-12-22(20)30(31,32)33)25(18(2)34-17)29(38)43-16-35-27(36)21-11-4-6-13-23(21)44(35,39)40/h3-6,10-13,19,24,26H,7-9,14-16H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Alter, S.A.

Curated by ChEMBL


Assay Description
Blockade of calcium-evoked contractions in depolarized aortic strips


J Med Chem 35: 2407-14 (1992)


BindingDB Entry DOI: 10.7270/Q2BV7H7B
More data for this
Ligand-Target Pair