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SMILES: CC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=NJUDUDCBMSQQGO-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 164217   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM164217
PNG
(US9688615, 28)
Show SMILES CC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H9F6N3O/c1-5(22)19-4-9-20-8-3-6(11(13,14)15)2-7(10(8)21-9)12(16,17)18/h2-3H,4H2,1H3,(H,19,22)(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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))
BDBM164217
PNG
(US9688615, 28)
Show SMILES CC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H9F6N3O/c1-5(22)19-4-9-20-8-3-6(11(13,14)15)2-7(10(8)21-9)12(16,17)18/h2-3H,4H2,1H3,(H,19,22)(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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 T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM164217
PNG
(US9688615, 28)
Show SMILES CC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H9F6N3O/c1-5(22)19-4-9-20-8-3-6(11(13,14)15)2-7(10(8)21-9)12(16,17)18/h2-3H,4H2,1H3,(H,19,22)(H,20,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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 L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM164217
PNG
(US9688615, 28)
Show SMILES CC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H9F6N3O/c1-5(22)19-4-9-20-8-3-6(11(13,14)15)2-7(10(8)21-9)12(16,17)18/h2-3H,4H2,1H3,(H,19,22)(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/a7.4n/a



SRMLSC

US Patent


Assay Description
To assess the potential cardiac liability of compounds at an early stage in the drug discovery process, a Nav1.5 sodium channel screening assay was b...


US Patent US9688615 (2017)


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


(Homo sapiens (Human))
BDBM164217
PNG
(US9688615, 28)
Show SMILES CC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H9F6N3O/c1-5(22)19-4-9-20-8-3-6(11(13,14)15)2-7(10(8)21-9)12(16,17)18/h2-3H,4H2,1H3,(H,19,22)(H,20,21)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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 L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM164217
PNG
(US9688615, 28)
Show SMILES CC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H9F6N3O/c1-5(22)19-4-9-20-8-3-6(11(13,14)15)2-7(10(8)21-9)12(16,17)18/h2-3H,4H2,1H3,(H,19,22)(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/a7.4n/a



SRMLSC

US Patent


Assay Description
To assess the potential cardiac liability of compounds at an early stage in the drug discovery process, a Nav1.5 sodium channel screening assay was b...


US Patent US9688615 (2017)


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


(Homo sapiens (Human))
BDBM164217
PNG
(US9688615, 28)
Show SMILES CC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H9F6N3O/c1-5(22)19-4-9-20-8-3-6(11(13,14)15)2-7(10(8)21-9)12(16,17)18/h2-3H,4H2,1H3,(H,19,22)(H,20,21)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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