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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Voltage-dependent N-type calcium channel subunit alpha-1B' and Ligand = 'BDBM164250'   
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 N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM164250
PNG
(US9688615, 61)
Show SMILES CC(C)(C)CC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H17F6N3O/c1-14(2,3)6-12(26)23-7-11-24-10-5-8(15(17,18)19)4-9(13(10)25-11)16(20,21)22/h4-5H,6-7H2,1-3H3,(H,23,26)(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90E+3n/an/an/an/an/an/a



SRMLSC

US Patent


Assay Description
Cells were plated in 384-well, clear-bottom, black-walled, poly-D-lysine coated plates (Becton Dickinson, Franklin Lake, N.J.) 2 days prior to use in...


US Patent US9688615 (2017)


BindingDB Entry DOI: 10.7270/Q27S7KXH
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM164250
PNG
(US9688615, 61)
Show SMILES CC(C)(C)CC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H17F6N3O/c1-14(2,3)6-12(26)23-7-11-24-10-5-8(15(17,18)19)4-9(13(10)25-11)16(20,21)22/h4-5H,6-7H2,1-3H3,(H,23,26)(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



SRMLSC

US Patent


Assay Description
Cells were plated in 384-well, clear-bottom, black-walled, poly-D-lysine coated plates (Becton Dickinson, Franklin Lake, N.J.) 2 days prior to use in...


US Patent US9688615 (2017)


BindingDB Entry DOI: 10.7270/Q27S7KXH
More data for this
Ligand-Target Pair