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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 412.5
BDBM363981

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))
BDBM363981
PNG
(US9856250, 24)
Show SMILES CN1C=C(C2C=CC=CC12)C(=O)NC[C@H]1C[C@@H]2CC[C@H](C1)N2CC(=O)NC(C)(C)C |r,c:2,5,7,THB:22:21:20.14.15:17.18|
Show InChI InChI=1S/C24H36N4O2/c1-24(2,3)26-22(29)15-28-17-9-10-18(28)12-16(11-17)13-25-23(30)20-14-27(4)21-8-6-5-7-19(20)21/h5-8,14,16-19,21H,9-13,15H2,1-4H3,(H,25,30)(H,26,29)/t16-,17-,18+,19?,21?
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 78n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The HEK293 cells having human Cav3.2 stably expressed therein were cultured at 37° C. in Alpha-MEM, to which 10% (v/v) fetal bovine serum (FBS), peni...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2G73H2M
More data for this
Ligand-Target Pair