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SMILES: CC(C)(O)Cn1c(CN2CCNCC2=O)nc2cc(c(cc12)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=AYFKQFUWSLEACG-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 = 164335   
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))
BDBM164335
PNG
(US9688615, 146)
Show SMILES CC(C)(O)Cn1c(CN2CCNCC2=O)nc2cc(c(cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H20F6N4O2/c1-16(2,30)9-28-13-6-11(18(22,23)24)10(17(19,20)21)5-12(13)26-14(28)8-27-4-3-25-7-15(27)29/h5-6,25,30H,3-4,7-9H2,1-2H3
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))
BDBM164335
PNG
(US9688615, 146)
Show SMILES CC(C)(O)Cn1c(CN2CCNCC2=O)nc2cc(c(cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H20F6N4O2/c1-16(2,30)9-28-13-6-11(18(22,23)24)10(17(19,20)21)5-12(13)26-14(28)8-27-4-3-25-7-15(27)29/h5-6,25,30H,3-4,7-9H2,1-2H3
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))
BDBM164335
PNG
(US9688615, 146)
Show SMILES CC(C)(O)Cn1c(CN2CCNCC2=O)nc2cc(c(cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H20F6N4O2/c1-16(2,30)9-28-13-6-11(18(22,23)24)10(17(19,20)21)5-12(13)26-14(28)8-27-4-3-25-7-15(27)29/h5-6,25,30H,3-4,7-9H2,1-2H3
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))
BDBM164335
PNG
(US9688615, 146)
Show SMILES CC(C)(O)Cn1c(CN2CCNCC2=O)nc2cc(c(cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H20F6N4O2/c1-16(2,30)9-28-13-6-11(18(22,23)24)10(17(19,20)21)5-12(13)26-14(28)8-27-4-3-25-7-15(27)29/h5-6,25,30H,3-4,7-9H2,1-2H3
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))
BDBM164335
PNG
(US9688615, 146)
Show SMILES CC(C)(O)Cn1c(CN2CCNCC2=O)nc2cc(c(cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H20F6N4O2/c1-16(2,30)9-28-13-6-11(18(22,23)24)10(17(19,20)21)5-12(13)26-14(28)8-27-4-3-25-7-15(27)29/h5-6,25,30H,3-4,7-9H2,1-2H3
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 L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))
BDBM164335
PNG
(US9688615, 146)
Show SMILES CC(C)(O)Cn1c(CN2CCNCC2=O)nc2cc(c(cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H20F6N4O2/c1-16(2,30)9-28-13-6-11(18(22,23)24)10(17(19,20)21)5-12(13)26-14(28)8-27-4-3-25-7-15(27)29/h5-6,25,30H,3-4,7-9H2,1-2H3
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))
BDBM164335
PNG
(US9688615, 146)
Show SMILES CC(C)(O)Cn1c(CN2CCNCC2=O)nc2cc(c(cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H20F6N4O2/c1-16(2,30)9-28-13-6-11(18(22,23)24)10(17(19,20)21)5-12(13)26-14(28)8-27-4-3-25-7-15(27)29/h5-6,25,30H,3-4,7-9H2,1-2H3
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