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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 364.4
BDBM50452222

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-1I


(Homo sapiens (Human))
BDBM50452222
PNG
(CHEMBL4216279)
Show SMILES COc1ccc(Cn2ccc(NC(=O)Cc3ccc(cc3)N(C)C)n2)cc1
Show InChI InChI=1S/C24H27N3O5/c1-16(23(30)27-14-8-13-20(27)24(31)32)25-22(29)19(15-17-9-4-2-5-10-17)26-21(28)18-11-6-3-7-12-18/h2-7,9-12,16,19-20H,8,13-15H2,1H3,(H,25,29)(H,26,28)(H,31,32)/t16-,19+,20+/m1/s1
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Article
PubMed
n/an/a 3.40n/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-1G


(Homo sapiens (Human))
BDBM50452222
PNG
(CHEMBL4216279)
Show SMILES COc1ccc(Cn2ccc(NC(=O)Cc3ccc(cc3)N(C)C)n2)cc1
Show InChI InChI=1S/C24H27N3O5/c1-16(23(30)27-14-8-13-20(27)24(31)32)25-22(29)19(15-17-9-4-2-5-10-17)26-21(28)18-11-6-3-7-12-18/h2-7,9-12,16,19-20H,8,13-15H2,1H3,(H,25,29)(H,26,28)(H,31,32)/t16-,19+,20+/m1/s1
PDB

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KEGG

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 23n/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-1H


(Homo sapiens (Human))
BDBM50452222
PNG
(CHEMBL4216279)
Show SMILES COc1ccc(Cn2ccc(NC(=O)Cc3ccc(cc3)N(C)C)n2)cc1
Show InChI InChI=1S/C24H27N3O5/c1-16(23(30)27-14-8-13-20(27)24(31)32)25-22(29)19(15-17-9-4-2-5-10-17)26-21(28)18-11-6-3-7-12-18/h2-7,9-12,16,19-20H,8,13-15H2,1H3,(H,25,29)(H,26,28)(H,31,32)/t16-,19+,20+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 47n/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