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SMILES: NCC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1

InChI Key: InChIKey=UDTCECNLYWXABA-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 = 164201   
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))
BDBM164201
PNG
(US9688615, 12)
Show SMILES NCC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C15H14F6N4O/c16-14(17,18)8-2-9(15(19,20)21)13-10(3-8)23-11(24-13)1-7-5-25(6-7)12(26)4-22/h2-3,7H,1,4-6,22H2,(H,23,24)
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))
BDBM164201
PNG
(US9688615, 12)
Show SMILES NCC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C15H14F6N4O/c16-14(17,18)8-2-9(15(19,20)21)13-10(3-8)23-11(24-13)1-7-5-25(6-7)12(26)4-22/h2-3,7H,1,4-6,22H2,(H,23,24)
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))
BDBM164201
PNG
(US9688615, 12)
Show SMILES NCC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C15H14F6N4O/c16-14(17,18)8-2-9(15(19,20)21)13-10(3-8)23-11(24-13)1-7-5-25(6-7)12(26)4-22/h2-3,7H,1,4-6,22H2,(H,23,24)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.59E+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 L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM164201
PNG
(US9688615, 12)
Show SMILES NCC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C15H14F6N4O/c16-14(17,18)8-2-9(15(19,20)21)13-10(3-8)23-11(24-13)1-7-5-25(6-7)12(26)4-22/h2-3,7H,1,4-6,22H2,(H,23,24)
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))
BDBM164201
PNG
(US9688615, 12)
Show SMILES NCC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C15H14F6N4O/c16-14(17,18)8-2-9(15(19,20)21)13-10(3-8)23-11(24-13)1-7-5-25(6-7)12(26)4-22/h2-3,7H,1,4-6,22H2,(H,23,24)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.58E+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 L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM164201
PNG
(US9688615, 12)
Show SMILES NCC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C15H14F6N4O/c16-14(17,18)8-2-9(15(19,20)21)13-10(3-8)23-11(24-13)1-7-5-25(6-7)12(26)4-22/h2-3,7H,1,4-6,22H2,(H,23,24)
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))
BDBM164201
PNG
(US9688615, 12)
Show SMILES NCC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C15H14F6N4O/c16-14(17,18)8-2-9(15(19,20)21)13-10(3-8)23-11(24-13)1-7-5-25(6-7)12(26)4-22/h2-3,7H,1,4-6,22H2,(H,23,24)
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