BindingDB logo
myBDB logout

null

SMILES: COC(=O)C1C(C(C(=O)OCc2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=HLARRBJEHUGPFZ-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50317819   
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-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)
BDBM50317819
PNG
(3-(3,5-dinitrobenzyl)5-methyl 2,6-dimethyl-4-(3-ni...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:26,t:23|
Show InChI InChI=1S/C23H20N4O10/c1-12-19(22(28)36-3)21(15-5-4-6-16(9-15)25(30)31)20(13(2)24-12)23(29)37-11-14-7-17(26(32)33)10-18(8-14)27(34)35/h4-10,19,21H,11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rabbit Cav1.2 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 ass...


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1D


(Rattus norvegicus)
BDBM50317819
PNG
(3-(3,5-dinitrobenzyl)5-methyl 2,6-dimethyl-4-(3-ni...)
Show SMILES COC(=O)C1C(C(C(=O)OCc2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:26,t:23|
Show InChI InChI=1S/C23H20N4O10/c1-12-19(22(28)36-3)21(15-5-4-6-16(9-15)25(30)31)20(13(2)24-12)23(29)37-11-14-7-17(26(32)33)10-18(8-14)27(34)35/h4-10,19,21H,11H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Antagonist activity at rat Cav1.3 expressed in HEK293 cells assessed as inhibition of voltage pulse-induced calcium current by FLIPR calcium 4 assay


Bioorg Med Chem 18: 3147-58 (2010)


Article DOI: 10.1016/j.bmc.2010.03.038
BindingDB Entry DOI: 10.7270/Q2F47P90
More data for this
Ligand-Target Pair