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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Voltage-dependent L-type calcium channel subunit alpha-1S' and Ligand = 'BDBM50479922'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50479922
PNG
(CHEMBL489002)
Show SMILES CC1=CSC(O)(c2noc(=O)n12)c1ccc(Br)cc1 |t:1|
Show InChI InChI=1S/C12H9BrN2O3S/c1-7-6-19-12(17,8-2-4-9(13)5-3-8)10-14-18-11(16)15(7)10/h2-6,17H,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
290n/an/an/an/an/an/an/an/a



Universita degli Studi di Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diltiazem from L-type calcium channel in Sprague-Dawley rat cardiac myocytes by liquid scintillation counting


J Med Chem 52: 2352-62 (2009)


Article DOI: 10.1021/jm801351u
BindingDB Entry DOI: 10.7270/Q2MP562C
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50479922
PNG
(CHEMBL489002)
Show SMILES CC1=CSC(O)(c2noc(=O)n12)c1ccc(Br)cc1 |t:1|
Show InChI InChI=1S/C12H9BrN2O3S/c1-7-6-19-12(17,8-2-4-9(13)5-3-8)10-14-18-11(16)15(7)10/h2-6,17H,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.34E+4n/an/an/an/an/an/a



Universita degli Studi di Bologna

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel in Wistar rat tail artery smooth muscle cells assessed as blockade of barium-sensitive inward rectifying current...


J Med Chem 52: 2352-62 (2009)


Article DOI: 10.1021/jm801351u
BindingDB Entry DOI: 10.7270/Q2MP562C
More data for this
Ligand-Target Pair