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Patent code US9688615

Compile Data Set for Download or QSAR

Found 706 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM164208
PNG
(US9688615, 19)
Show SMILES CC(C)(C)NC(=O)CN1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C19H22F6N4O/c1-17(2,3)28-15(30)9-29-7-10(8-29)4-14-26-13-6-11(18(20,21)22)5-12(16(13)27-14)19(23,24)25/h5-6,10H,4,7-9H2,1-3H3,(H,26,27)(H,28,30)
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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)

More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
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)
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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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
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)
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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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164208
PNG
(US9688615, 19)
Show SMILES CC(C)(C)NC(=O)CN1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C19H22F6N4O/c1-17(2,3)28-15(30)9-29-7-10(8-29)4-14-26-13-6-11(18(20,21)22)5-12(16(13)27-14)19(23,24)25/h5-6,10H,4,7-9H2,1-3H3,(H,26,27)(H,28,30)
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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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
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)
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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)

More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM163526
PNG
(US9688615, 1)
Show SMILES FC(F)(F)c1cc(c2nc(CC3CNC3)[nH]c2c1)C(F)(F)F
Show InChI InChI=1S/C13H11F6N3/c14-12(15,16)7-2-8(13(17,18)19)11-9(3-7)21-10(22-11)1-6-4-20-5-6/h2-3,6,20H,1,4-5H2,(H,21,22)
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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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164199
PNG
(US9688615, 10)
Show SMILES FC(F)(F)c1cc2nc(CC3CNC3)[nH]c2cc1C(F)(F)F
Show InChI InChI=1S/C13H11F6N3/c14-12(15,16)7-2-9-10(3-8(7)13(17,18)19)22-11(21-9)1-6-4-20-5-6/h2-3,6,20H,1,4-5H2,(H,21,22)
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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)

More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM164199
PNG
(US9688615, 10)
Show SMILES FC(F)(F)c1cc2nc(CC3CNC3)[nH]c2cc1C(F)(F)F
Show InChI InChI=1S/C13H11F6N3/c14-12(15,16)7-2-9-10(3-8(7)13(17,18)19)22-11(21-9)1-6-4-20-5-6/h2-3,6,20H,1,4-5H2,(H,21,22)
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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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164199
PNG
(US9688615, 10)
Show SMILES FC(F)(F)c1cc2nc(CC3CNC3)[nH]c2cc1C(F)(F)F
Show InChI InChI=1S/C13H11F6N3/c14-12(15,16)7-2-9-10(3-8(7)13(17,18)19)22-11(21-9)1-6-4-20-5-6/h2-3,6,20H,1,4-5H2,(H,21,22)
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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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164221
PNG
(US9688615, 32)
Show SMILES CC(C)(C)OC(=O)NCc1nc2c(cc(cc2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H15F6N3O2/c1-13(2,3)26-12(25)22-6-10-23-9-5-7(14(16,17)18)4-8(11(9)24-10)15(19,20)21/h4-5H,6H2,1-3H3,(H,22,25)(H,23,24)
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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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164208
PNG
(US9688615, 19)
Show SMILES CC(C)(C)NC(=O)CN1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C19H22F6N4O/c1-17(2,3)28-15(30)9-29-7-10(8-29)4-14-26-13-6-11(18(20,21)22)5-12(16(13)27-14)19(23,24)25/h5-6,10H,4,7-9H2,1-3H3,(H,26,27)(H,28,30)
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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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164324
PNG
(US9688615, 135)
Show SMILES FC(F)(F)c1cc(c2[nH]c(CC3CCNCC3)nc2c1)C(F)(F)F
Show InChI InChI=1S/C15H15F6N3/c16-14(17,18)9-6-10(15(19,20)21)13-11(7-9)23-12(24-13)5-8-1-3-22-4-2-8/h6-8,22H,1-5H2,(H,23,24)
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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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM163549
PNG
(US9688615, 3)
Show SMILES CC(C)(C)NC(=O)Cn1c(CC2CNC2)nc2c(cc(cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N4O/c1-17(2,3)28-15(30)9-29-13-6-11(18(20,21)22)5-12(19(23,24)25)16(13)27-14(29)4-10-7-26-8-10/h5-6,10,26H,4,7-9H2,1-3H3,(H,28,30)
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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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164228
PNG
(US9688615, 39)
Show SMILES NCC(=O)NCc1nc2cc(c(cc2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H10F6N4O/c13-11(14,15)5-1-7-8(2-6(5)12(16,17)18)22-9(21-7)4-20-10(23)3-19/h1-2H,3-4,19H2,(H,20,23)(H,21,22)
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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)

More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM164262
PNG
(US9688615, 73)
Show SMILES CC(C)C[C@H](CN)CC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H22F6N4O/c1-9(2)3-10(7-25)4-15(29)26-8-14-27-13-6-11(17(19,20)21)5-12(16(13)28-14)18(22,23)24/h5-6,9-10H,3-4,7-8,25H2,1-2H3,(H,26,29)(H,27,28)/t10-/m0/s1
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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)

More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM163549
PNG
(US9688615, 3)
Show SMILES CC(C)(C)NC(=O)Cn1c(CC2CNC2)nc2c(cc(cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N4O/c1-17(2,3)28-15(30)9-29-13-6-11(18(20,21)22)5-12(19(23,24)25)16(13)27-14(29)4-10-7-26-8-10/h5-6,10,26H,4,7-9H2,1-3H3,(H,28,30)
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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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164361
PNG
(US9688615, 172)
Show SMILES N[C@@H]1CCCC[C@@H]1C(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H18F6N4O/c18-16(19,20)8-5-10(17(21,22)23)14-12(6-8)26-13(27-14)7-25-15(28)9-3-1-2-4-11(9)24/h5-6,9,11H,1-4,7,24H2,(H,25,28)(H,26,27)/t9-,11+/m0/s1
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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)

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)
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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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164262
PNG
(US9688615, 73)
Show SMILES CC(C)C[C@H](CN)CC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H22F6N4O/c1-9(2)3-10(7-25)4-15(29)26-8-14-27-13-6-11(17(19,20)21)5-12(16(13)28-14)18(22,23)24/h5-6,9-10H,3-4,7-8,25H2,1-2H3,(H,26,29)(H,27,28)/t10-/m0/s1
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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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164262
PNG
(US9688615, 73)
Show SMILES CC(C)C[C@H](CN)CC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H22F6N4O/c1-9(2)3-10(7-25)4-15(29)26-8-14-27-13-6-11(17(19,20)21)5-12(16(13)28-14)18(22,23)24/h5-6,9-10H,3-4,7-8,25H2,1-2H3,(H,26,29)(H,27,28)/t10-/m0/s1
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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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164220
PNG
(US9688615, 31)
Show SMILES CC(C)C[C@H](CN)Cc1nc2c(cc(cc2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H19F6N3/c1-8(2)3-9(7-23)4-13-24-12-6-10(15(17,18)19)5-11(14(12)25-13)16(20,21)22/h5-6,8-9H,3-4,7,23H2,1-2H3,(H,24,25)/t9-/m0/s1
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n/an/a 1.26E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164360
PNG
(US9688615, 171)
Show SMILES NC1(Cc2nc3cc(cc(c3[nH]2)C(F)(F)F)C(F)(F)F)CCCCC1
Show InChI InChI=1S/C16H17F6N3/c17-15(18,19)9-6-10(16(20,21)22)13-11(7-9)24-12(25-13)8-14(23)4-2-1-3-5-14/h6-7H,1-5,8,23H2,(H,24,25)
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n/an/a 1.31E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164363
PNG
(US9688615, 174)
Show SMILES N[C@@H]1CCCC[C@H]1C(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H18F6N4O/c18-16(19,20)8-5-10(17(21,22)23)14-12(6-8)26-13(27-14)7-25-15(28)9-3-1-2-4-11(9)24/h5-6,9,11H,1-4,7,24H2,(H,25,28)(H,26,27)/t9-,11-/m1/s1
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n/an/a 1.50E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164203
PNG
(US9688615, 14)
Show SMILES CC(C)(N)CC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C18H20F6N4O/c1-16(2,25)6-14(29)28-7-9(8-28)3-13-26-12-5-10(17(19,20)21)4-11(15(12)27-13)18(22,23)24/h4-5,9H,3,6-8,25H2,1-2H3,(H,26,27)
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n/an/a 1.76E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM163549
PNG
(US9688615, 3)
Show SMILES CC(C)(C)NC(=O)Cn1c(CC2CNC2)nc2c(cc(cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H22F6N4O/c1-17(2,3)28-15(30)9-29-13-6-11(18(20,21)22)5-12(19(23,24)25)16(13)27-14(29)4-10-7-26-8-10/h5-6,10,26H,4,7-9H2,1-3H3,(H,28,30)
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n/an/a 1.85E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164364
PNG
(US9688615, 175)
Show SMILES N[C@H]1CCCC[C@@H]1C(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H18F6N4O/c18-16(19,20)8-5-10(17(21,22)23)14-12(6-8)26-13(27-14)7-25-15(28)9-3-1-2-4-11(9)24/h5-6,9,11H,1-4,7,24H2,(H,25,28)(H,26,27)/t9-,11-/m0/s1
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n/an/a 1.90E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM163526
PNG
(US9688615, 1)
Show SMILES FC(F)(F)c1cc(c2nc(CC3CNC3)[nH]c2c1)C(F)(F)F
Show InChI InChI=1S/C13H11F6N3/c14-12(15,16)7-2-8(13(17,18)19)11-9(3-7)21-10(22-11)1-6-4-20-5-6/h2-3,6,20H,1,4-5H2,(H,21,22)
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n/an/a 1.98E+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)

More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM163533
PNG
(US9688615, 2)
Show SMILES Clc1cc2nc(CC3CNC3)[nH]c2cc1Cl
Show InChI InChI=1S/C11H11Cl2N3/c12-7-2-9-10(3-8(7)13)16-11(15-9)1-6-4-14-5-6/h2-3,6,14H,1,4-5H2,(H,15,16)
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n/an/a 1.98E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164362
PNG
(US9688615, 173)
Show SMILES N[C@H]1CCCC[C@H]1C(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H18F6N4O/c18-16(19,20)8-5-10(17(21,22)23)14-12(6-8)26-13(27-14)7-25-15(28)9-3-1-2-4-11(9)24/h5-6,9,11H,1-4,7,24H2,(H,25,28)(H,26,27)/t9-,11+/m1/s1
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n/an/a 2.10E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164252
PNG
(US9688615, 63)
Show SMILES COCc1nc2c(cc(cc2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C11H8F6N2O/c1-20-4-8-18-7-3-5(10(12,13)14)2-6(9(7)19-8)11(15,16)17/h2-3H,4H2,1H3,(H,18,19)
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n/an/a 2.20E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM163533
PNG
(US9688615, 2)
Show SMILES Clc1cc2nc(CC3CNC3)[nH]c2cc1Cl
Show InChI InChI=1S/C11H11Cl2N3/c12-7-2-9-10(3-8(7)13)16-11(15-9)1-6-4-14-5-6/h2-3,6,14H,1,4-5H2,(H,15,16)
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n/an/a 2.23E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164331
PNG
(US9688615, 142)
Show SMILES FC(F)(F)c1cc2nc(CC3CCNCC3)[nH]c2cc1C(F)(F)F
Show InChI InChI=1S/C15H15F6N3/c16-14(17,18)9-6-11-12(7-10(9)15(19,20)21)24-13(23-11)5-8-1-3-22-4-2-8/h6-8,22H,1-5H2,(H,23,24)
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n/an/a 2.25E+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)

More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM164223
PNG
(US9688615, 34)
Show SMILES CC(C)(N)Cc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C13H13F6N3/c1-11(2,20)5-9-21-8-4-6(12(14,15)16)3-7(10(8)22-9)13(17,18)19/h3-4H,5,20H2,1-2H3,(H,21,22)
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n/an/a 2.35E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164261
PNG
(US9688615, 72)
Show SMILES FC(F)(F)c1cc(c2[nH]c(Cc3ccncc3)nc2c1)C(F)(F)F
Show InChI InChI=1S/C15H9F6N3/c16-14(17,18)9-6-10(15(19,20)21)13-11(7-9)23-12(24-13)5-8-1-3-22-4-2-8/h1-4,6-7H,5H2,(H,23,24)
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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)

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)
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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)

More data for this
Ligand-Target Pair
Calcium channel (Type L)


(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)
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n/an/a 2.58E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM164208
PNG
(US9688615, 19)
Show SMILES CC(C)(C)NC(=O)CN1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C19H22F6N4O/c1-17(2,3)28-15(30)9-29-7-10(8-29)4-14-26-13-6-11(18(20,21)22)5-12(16(13)27-14)19(23,24)25/h5-6,10H,4,7-9H2,1-3H3,(H,26,27)(H,28,30)
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n/an/a 2.94E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type L)


(HUMAN)
BDBM164220
PNG
(US9688615, 31)
Show SMILES CC(C)C[C@H](CN)Cc1nc2c(cc(cc2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H19F6N3/c1-8(2)3-9(7-23)4-13-24-12-6-10(15(17,18)19)5-11(14(12)25-13)16(20,21)22/h5-6,8-9H,3-4,7,23H2,1-2H3,(H,24,25)/t9-/m0/s1
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n/an/a 2.99E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM164360
PNG
(US9688615, 171)
Show SMILES NC1(Cc2nc3cc(cc(c3[nH]2)C(F)(F)F)C(F)(F)F)CCCCC1
Show InChI InChI=1S/C16H17F6N3/c17-15(18,19)9-6-10(16(20,21)22)13-11(7-9)24-12(25-13)8-14(23)4-2-1-3-5-14/h6-7H,1-5,8,23H2,(H,24,25)
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n/an/a 3.08E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164213
PNG
(US9688615, 24)
Show SMILES NCC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H10F6N4O/c13-11(14,15)5-1-6(12(16,17)18)10-7(2-5)21-8(22-10)4-20-9(23)3-19/h1-2H,3-4,19H2,(H,20,23)(H,21,22)
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n/an/a 3.09E+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)

More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM164363
PNG
(US9688615, 174)
Show SMILES N[C@@H]1CCCC[C@H]1C(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H18F6N4O/c18-16(19,20)8-5-10(17(21,22)23)14-12(6-8)26-13(27-14)7-25-15(28)9-3-1-2-4-11(9)24/h5-6,9,11H,1-4,7,24H2,(H,25,28)(H,26,27)/t9-,11-/m1/s1
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n/an/a 3.40E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164231
PNG
(US9688615, 42)
Show SMILES CN(Cc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F)C(=O)CN
Show InChI InChI=1S/C13H12F6N4O/c1-23(10(24)4-20)5-9-21-8-3-6(12(14,15)16)2-7(11(8)22-9)13(17,18)19/h2-3H,4-5,20H2,1H3,(H,21,22)
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n/an/a 3.43E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type L)


(HUMAN)
BDBM164208
PNG
(US9688615, 19)
Show SMILES CC(C)(C)NC(=O)CN1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C19H22F6N4O/c1-17(2,3)28-15(30)9-29-7-10(8-29)4-14-26-13-6-11(18(20,21)22)5-12(16(13)27-14)19(23,24)25/h5-6,10H,4,7-9H2,1-3H3,(H,26,27)(H,28,30)
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n/an/a 3.56E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit Nav1.5


(Homo sapiens (Human))
BDBM164223
PNG
(US9688615, 34)
Show SMILES CC(C)(N)Cc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C13H13F6N3/c1-11(2,20)5-9-21-8-4-6(12(14,15)16)3-7(10(8)22-9)13(17,18)19/h3-4H,5,20H2,1-2H3,(H,21,22)
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n/an/a 3.60E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164237
PNG
(US9688615, 48)
Show SMILES CN(Cc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F)C(=O)CNC(C)(C)C
Show InChI InChI=1S/C17H20F6N4O/c1-15(2,3)24-7-13(28)27(4)8-12-25-11-6-9(16(18,19)20)5-10(14(11)26-12)17(21,22)23/h5-6,24H,7-8H2,1-4H3,(H,25,26)
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n/an/a 3.80E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM164227
PNG
(US9688615, 38)
Show SMILES NCc1nc2cc(c(cc2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C10H7F6N3/c11-9(12,13)4-1-6-7(19-8(3-17)18-6)2-5(4)10(14,15)16/h1-2H,3,17H2,(H,18,19)
UniProtKB/SwissProt

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UniChem
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US Patent
n/an/a 3.80E+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)

More data for this
Ligand-Target Pair
Calcium channel (Type L)


(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

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n/an/a 3.90E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM164250
PNG
(US9688615, 61)
Show SMILES CC(C)(C)CC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H17F6N3O/c1-14(2,3)6-12(26)23-7-11-24-10-5-8(15(17,18)19)4-9(13(10)25-11)16(20,21)22/h4-5H,6-7H2,1-3H3,(H,23,26)(H,24,25)
UniProtKB/SwissProt

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n/an/a 3.90E+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)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM164237
PNG
(US9688615, 48)
Show SMILES CN(Cc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F)C(=O)CNC(C)(C)C
Show InChI InChI=1S/C17H20F6N4O/c1-15(2,3)24-7-13(28)27(4)8-12-25-11-6-9(16(18,19)20)5-10(14(11)26-12)17(21,22)23/h5-6,24H,7-8H2,1-4H3,(H,25,26)
UniProtKB/SwissProt

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n/an/a 4.00E+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)

More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM164229
PNG
(US9688615, 40)
Show SMILES CN(Cc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C
Show InChI InChI=1S/C16H17F6N3O2/c1-14(2,3)27-13(26)25(4)7-11-23-10-6-8(15(17,18)19)5-9(12(10)24-11)16(20,21)22/h5-6H,7H2,1-4H3,(H,23,24)
UniProtKB/SwissProt

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n/an/a 4.05E+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)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%