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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 427.4
BDBM50452287

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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 T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50452287
PNG
(CHEMBL4206219)
Show SMILES CC1(COc2ccc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)cc2)COC1
Show InChI InChI=1S/C23H23F2N3O3/c1-23(13-30-14-23)15-31-18-5-2-16(3-6-18)11-22(29)26-21-8-9-28(27-21)12-17-4-7-19(24)20(25)10-17/h2-10H,11-15H2,1H3,(H,26,27,29)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...


J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))
BDBM50452287
PNG
(CHEMBL4206219)
Show SMILES CC1(COc2ccc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)cc2)COC1
Show InChI InChI=1S/C23H23F2N3O3/c1-23(13-30-14-23)15-31-18-5-2-16(3-6-18)11-22(29)26-21-8-9-28(27-21)12-17-4-7-19(24)20(25)10-17/h2-10H,11-15H2,1H3,(H,26,27,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...


J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50452287
PNG
(CHEMBL4206219)
Show SMILES CC1(COc2ccc(CC(=O)Nc3ccn(Cc4ccc(F)c(F)c4)n3)cc2)COC1
Show InChI InChI=1S/C23H23F2N3O3/c1-23(13-30-14-23)15-31-18-5-2-16(3-6-18)11-22(29)26-21-8-9-28(27-21)12-17-4-7-19(24)20(25)10-17/h2-10H,11-15H2,1H3,(H,26,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Idorsia Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cav3.2 (unknown origin) expressed in HEK293 cells assessed as decrease in calcium flux preincubated for 3 mins followed by ...


J Med Chem 60: 9769-9789 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745
More data for this
Ligand-Target Pair