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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 572.1
BDBM50373620

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

Found 1 hit 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-1H


(Homo sapiens (Human))
BDBM50373620
PNG
(CHEMBL269980)
Show SMILES CC(C)CCCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CN(C)C(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C29H34ClN3O5S/c1-22(2)10-9-17-33(26-15-7-13-24(30)18-26)39(36,37)27-16-8-14-25(19-27)31-28(34)20-32(3)29(35)38-21-23-11-5-4-6-12-23/h4-8,11-16,18-19,22H,9-10,17,20-21H2,1-3H3,(H,31,34)
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb R& D

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha1H T-type calcium channel expressed in HEK293 cells by patch clamp technique


Bioorg Med Chem Lett 18: 474-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.103
BindingDB Entry DOI: 10.7270/Q2C53MQR
More data for this
Ligand-Target Pair