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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cav1.3/Cav beta3/Cav alpha2delta complex' and Ligand = 'BDBM50018796'   
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
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50018796
PNG
(2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES COC([O-])=C1C(C(C(=[OH+])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:2.2,c:13,t:10|
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8,15,20H,1-4H3
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PC cid
PC sid
UniChem

Patents

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Binding affinity for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
More data for this
Ligand-Target Pair
Cav1.3/Cav beta3/Cav alpha2delta complex


(Rattus norvegicus)
BDBM50018796
PNG
(2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES COC([O-])=C1C(C(C(=[OH+])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:2.2,c:13,t:10|
Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8,15,20H,1-4H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibitory concentration for L-type [Ca2+] channels was measured through displacement of [3H]nitrendipine on rat cortex homogenates.


J Med Chem 41: 5393-401 (1999)


Article DOI: 10.1021/jm9803267
More data for this
Ligand-Target Pair