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SMILES: CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1ccccc1SC

InChI Key: InChIKey=KJXIIHNSSHDLRG-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50317775   
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-1D


(Rattus norvegicus)
BDBM50317775
PNG
(CHEMBL1099222 | diethyl 2,6-dimethyl-4-(2-(methylt...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1ccccc1SC |c:15,t:12|
Show InChI InChI=1S/C20H25NO4S/c1-6-24-19(22)16-12(3)21-13(4)17(20(23)25-7-2)18(16)14-10-8-9-11-15(14)26-5/h8-11,16,18H,6-7H2,1-5H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/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
Voltage-dependent L-type calcium channel subunit alpha-1C


(Oryctolagus cuniculus)
BDBM50317775
PNG
(CHEMBL1099222 | diethyl 2,6-dimethyl-4-(2-(methylt...)
Show SMILES CCOC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)c1ccccc1SC |c:15,t:12|
Show InChI InChI=1S/C20H25NO4S/c1-6-24-19(22)16-12(3)21-13(4)17(20(23)25-7-2)18(16)14-10-8-9-11-15(14)26-5/h8-11,16,18H,6-7H2,1-5H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/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