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BDBM50002607 4-(2,3-Dichloro-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-methyl ester 5-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethyl) ester::CHEMBL432933

SMILES: COC(=O)C1C(C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)=C(C)N=C1C)c1cccc(Cl)c1Cl

InChI Key: InChIKey=VMFWHEWSJNDQDR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50002607   
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)
BDBM50002607
PNG
(4-(2,3-Dichloro-phenyl)-2,6-dimethyl-1,4-dihydro-p...)
Show SMILES COC(=O)C1C(C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)=C(C)N=C1C)c1cccc(Cl)c1Cl |c:27,t:24|
Show InChI InChI=1S/C24H20Cl2N2O7S/c1-12-18(23(30)34-3)20(15-8-6-9-16(25)21(15)26)19(13(2)27-12)24(31)35-11-28-22(29)14-7-4-5-10-17(14)36(28,32)33/h4-10,18,20H,11H2,1-3H3
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 5.10n/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