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BDBM164209 US9688615, 20

SMILES: CC1(CCC1)NC(=O)CN1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1

InChI Key: InChIKey=BJFBDFMAZKAYPR-UHFFFAOYSA-N

Data: 8 IC50

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 8 hits for monomerid = 164209   
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-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM164209
PNG
(US9688615, 20)
Show SMILES CC1(CCC1)NC(=O)CN1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C20H22F6N4O/c1-18(3-2-4-18)29-16(31)10-30-8-11(9-30)5-15-27-14-7-12(19(21,22)23)6-13(17(14)28-15)20(24,25)26/h6-7,11H,2-5,8-10H2,1H3,(H,27,28)(H,29,31)
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-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM164209
PNG
(US9688615, 20)
Show SMILES CC1(CCC1)NC(=O)CN1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C20H22F6N4O/c1-18(3-2-4-18)29-16(31)10-30-8-11(9-30)5-15-27-14-7-12(19(21,22)23)6-13(17(14)28-15)20(24,25)26/h6-7,11H,2-5,8-10H2,1H3,(H,27,28)(H,29,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.13E+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-gated T-type calcium channel


(Homo sapiens (Human))
BDBM164209
PNG
(US9688615, 20)
Show SMILES CC1(CCC1)NC(=O)CN1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C20H22F6N4O/c1-18(3-2-4-18)29-16(31)10-30-8-11(9-30)5-15-27-14-7-12(19(21,22)23)6-13(17(14)28-15)20(24,25)26/h6-7,11H,2-5,8-10H2,1H3,(H,27,28)(H,29,31)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/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
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM164209
PNG
(US9688615, 20)
Show SMILES CC1(CCC1)NC(=O)CN1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C20H22F6N4O/c1-18(3-2-4-18)29-16(31)10-30-8-11(9-30)5-15-27-14-7-12(19(21,22)23)6-13(17(14)28-15)20(24,25)26/h6-7,11H,2-5,8-10H2,1H3,(H,27,28)(H,29,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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))
BDBM164209
PNG
(US9688615, 20)
Show SMILES CC1(CCC1)NC(=O)CN1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C20H22F6N4O/c1-18(3-2-4-18)29-16(31)10-30-8-11(9-30)5-15-27-14-7-12(19(21,22)23)6-13(17(14)28-15)20(24,25)26/h6-7,11H,2-5,8-10H2,1H3,(H,27,28)(H,29,31)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/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
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM164209
PNG
(US9688615, 20)
Show SMILES CC1(CCC1)NC(=O)CN1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C20H22F6N4O/c1-18(3-2-4-18)29-16(31)10-30-8-11(9-30)5-15-27-14-7-12(19(21,22)23)6-13(17(14)28-15)20(24,25)26/h6-7,11H,2-5,8-10H2,1H3,(H,27,28)(H,29,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90E+3n/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
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM164209
PNG
(US9688615, 20)
Show SMILES CC1(CCC1)NC(=O)CN1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C20H22F6N4O/c1-18(3-2-4-18)29-16(31)10-30-8-11(9-30)5-15-27-14-7-12(19(21,22)23)6-13(17(14)28-15)20(24,25)26/h6-7,11H,2-5,8-10H2,1H3,(H,27,28)(H,29,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.58E+3n/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))
BDBM164209
PNG
(US9688615, 20)
Show SMILES CC1(CCC1)NC(=O)CN1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C20H22F6N4O/c1-18(3-2-4-18)29-16(31)10-30-8-11(9-30)5-15-27-14-7-12(19(21,22)23)6-13(17(14)28-15)20(24,25)26/h6-7,11H,2-5,8-10H2,1H3,(H,27,28)(H,29,31)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/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