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BDBM164200 US9688615, 11

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

InChI Key: InChIKey=ROQLYVJZUATFTQ-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 164200   
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))
BDBM164200
PNG
(US9688615, 11)
Show SMILES CC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C15H13F6N3O/c1-7(25)24-5-8(6-24)2-12-22-11-4-9(14(16,17)18)3-10(13(11)23-12)15(19,20)21/h3-4,8H,2,5-6H2,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

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))
BDBM164200
PNG
(US9688615, 11)
Show SMILES CC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C15H13F6N3O/c1-7(25)24-5-8(6-24)2-12-22-11-4-9(14(16,17)18)3-10(13(11)23-12)15(19,20)21/h3-4,8H,2,5-6H2,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

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 T-type calcium channel


(Homo sapiens)
BDBM164200
PNG
(US9688615, 11)
Show SMILES CC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C15H13F6N3O/c1-7(25)24-5-8(6-24)2-12-22-11-4-9(14(16,17)18)3-10(13(11)23-12)15(19,20)21/h3-4,8H,2,5-6H2,1H3,(H,22,23)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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
Calcium channel (Type L)


(HUMAN)
BDBM164200
PNG
(US9688615, 11)
Show SMILES CC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C15H13F6N3O/c1-7(25)24-5-8(6-24)2-12-22-11-4-9(14(16,17)18)3-10(13(11)23-12)15(19,20)21/h3-4,8H,2,5-6H2,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

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
Calcium channel (Type T,L)


()
BDBM164200
PNG
(US9688615, 11)
Show SMILES CC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C15H13F6N3O/c1-7(25)24-5-8(6-24)2-12-22-11-4-9(14(16,17)18)3-10(13(11)23-12)15(19,20)21/h3-4,8H,2,5-6H2,1H3,(H,22,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40E+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
Calcium channel (Type L)


(HUMAN)
BDBM164200
PNG
(US9688615, 11)
Show SMILES CC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C15H13F6N3O/c1-7(25)24-5-8(6-24)2-12-22-11-4-9(14(16,17)18)3-10(13(11)23-12)15(19,20)21/h3-4,8H,2,5-6H2,1H3,(H,22,23)
PDB

UniProtKB/SwissProt

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
Calcium channel (Type T,L)


()
BDBM164200
PNG
(US9688615, 11)
Show SMILES CC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C15H13F6N3O/c1-7(25)24-5-8(6-24)2-12-22-11-4-9(14(16,17)18)3-10(13(11)23-12)15(19,20)21/h3-4,8H,2,5-6H2,1H3,(H,22,23)
UniProtKB/SwissProt

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