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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 = 'BDBM50229257'   
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)
BDBM50229257
PNG
(CHEMBL2115149)
Show SMILES CCOC(=O)C1=C(C)NC(C[S+]([O-])c2ccccc2C)=C(C1c1ccccc1C(F)(F)F)C(=O)OCC
Show InChI InChI=1S/C27H28F3NO5S/c1-5-35-25(32)22-17(4)31-20(15-37(34)21-14-10-7-11-16(21)3)24(26(33)36-6-2)23(22)18-12-8-9-13-19(18)27(28,29)30/h7-14,23,31H,5-6,15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S


(Rattus norvegicus)
BDBM50229257
PNG
(CHEMBL2115149)
Show SMILES CCOC(=O)C1=C(C)NC(C[S+]([O-])c2ccccc2C)=C(C1c1ccccc1C(F)(F)F)C(=O)OCC
Show InChI InChI=1S/C27H28F3NO5S/c1-5-35-25(32)22-17(4)31-20(15-37(34)21-14-10-7-11-16(21)3)24(26(33)36-6-2)23(22)18-12-8-9-13-19(18)27(28,29)30/h7-14,23,31H,5-6,15H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Affinity to bind dihydropyridine receptor (DHP receptor) by inhibiting the radioligand [3H]nitrendipine


J Med Chem 34: 2248-60 (1991)


Article DOI: 10.1021/jm00111a047
More data for this
Ligand-Target Pair