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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-dependent L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM164298
PNG
(US9688615, 109)
Show SMILES FC(F)(F)c1ccc2[nH]c(CN3CCNCC3=O)nc2c1
Show InChI InChI=1S/C13H13F3N4O/c14-13(15,16)8-1-2-9-10(5-8)19-11(18-9)7-20-4-3-17-6-12(20)21/h1-2,5,17H,3-4,6-7H2,(H,18,19)
PDB

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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 N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		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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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))		BDBM164339
PNG
(US9688615, 150)
Show SMILES CC1(C)NCCN(Cc2nc3cc(c(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1=O
Show InChI InChI=1S/C16H16F6N4O/c1-14(2)13(27)26(4-3-23-14)7-12-24-10-5-8(15(17,18)19)9(16(20,21)22)6-11(10)25-12/h5-6,23H,3-4,7H2,1-2H3,(H,24,25)
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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)


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))		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 |r|
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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))		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 4.5n/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))		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)


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))		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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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))		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 8.60E+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 T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))		BDBM164253
PNG
(US9688615, 64)
Show SMILES COCCc1nc2c(cc(cc2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H10F6N2O/c1-21-3-2-9-19-8-5-6(11(13,14)15)4-7(10(8)20-9)12(16,17)18/h4-5H,2-3H2,1H3,(H,19,20)
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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)


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))		BDBM164255
PNG
(US9688615, 66)
Show SMILES CS(=O)(=O)Cc1nc2c(cc(cc2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C11H8F6N2O2S/c1-22(20,21)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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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))		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 5.80E+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)


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))		BDBM164323
PNG
(US9688615, 134)
Show SMILES CC(C)(C)NC(=O)Cn1c(CN2CCNC(C)(C)C2=O)nc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C20H27Cl2N5O2/c1-19(2,3)25-17(28)11-27-15-9-13(22)12(21)8-14(15)24-16(27)10-26-7-6-23-20(4,5)18(26)29/h8-9,23H,6-7,10-11H2,1-5H3,(H,25,28)
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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)


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))		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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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 L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM164224
PNG
(US9688615, 35)
Show SMILES NCCCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H11F6N3/c13-11(14,15)6-4-7(12(16,17)18)10-8(5-6)20-9(21-10)2-1-3-19/h4-5H,1-3,19H2,(H,20,21)
PDB

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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 L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM164311
PNG
(US9688615, 122)
Show SMILES CC(C)(C)NC(=O)Cn1c(CC2CCNCC2)nc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C19H26Cl2N4O/c1-19(2,3)24-18(26)11-25-16-10-14(21)13(20)9-15(16)23-17(25)8-12-4-6-22-7-5-12/h9-10,12,22H,4-8,11H2,1-3H3,(H,24,26)
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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 L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM164319
PNG
(US9688615, 130)
Show SMILES CC1(C)NCCN(CC(=O)NC(c2ccccn2)C(F)(F)F)C1=O
Show InChI InChI=1S/C15H19F3N4O2/c1-14(2)13(24)22(8-7-20-14)9-11(23)21-12(15(16,17)18)10-5-3-4-6-19-10/h3-6,12,20H,7-9H2,1-2H3,(H,21,23)
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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))		BDBM164212
PNG
(US9688615, 23)
Show SMILES NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C10H7F6N3/c11-9(12,13)4-1-5(10(14,15)16)8-6(2-4)18-7(3-17)19-8/h1-2H,3,17H2,(H,18,19)
PDB

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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)


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))		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)
PDB

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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)


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))		BDBM164343
PNG
(US9688615, 154)
Show SMILES CC1(C)NCCN(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)C1=O
Show InChI InChI=1S/C14H16Cl2N4O/c1-14(2)13(21)20(4-3-17-14)7-12-18-10-5-8(15)9(16)6-11(10)19-12/h5-6,17H,3-4,7H2,1-2H3,(H,18,19)
PDB

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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-1G


(Homo sapiens (Human))		BDBM164312
PNG
(US9688615, 123)
Show SMILES CC(C)(O)Cn1c(CC2CCNCC2)nc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C17H23Cl2N3O/c1-17(2,23)10-22-15-9-13(19)12(18)8-14(15)21-16(22)7-11-3-5-20-6-4-11/h8-9,11,20,23H,3-7,10H2,1-2H3
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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)


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))		BDBM164318
PNG
(US9688615, 129)
Show SMILES CC(C)(O)Cn1c(CN2CCNCC2=O)nc2c(cc(cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H20F6N4O2/c1-16(2,30)9-28-12-6-10(17(19,20)21)5-11(18(22,23)24)15(12)26-13(28)8-27-4-3-25-7-14(27)29/h5-6,25,30H,3-4,7-9H2,1-2H3
PDB

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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)


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))		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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n/an/a 4.49E+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 T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))		BDBM164332
PNG
(US9688615, 143)
Show SMILES CC(C)(O)Cn1c(CN2CCNC(C)(C)C2=O)cc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C19H25Cl2N3O2/c1-18(2,26)11-24-13(7-12-8-14(20)15(21)9-16(12)24)10-23-6-5-22-19(3,4)17(23)25/h7-9,22,26H,5-6,10-11H2,1-4H3
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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)


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))		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 |r|
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n/an/a 5.10E+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)


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))		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 |r|
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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)


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))		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)


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))		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)
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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)


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))		BDBM164230
PNG
(US9688615, 41)
Show SMILES CNCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C11H9F6N3/c1-18-4-8-19-7-3-5(10(12,13)14)2-6(9(7)20-8)11(15,16)17/h2-3,18H,4H2,1H3,(H,19,20)
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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)


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))		BDBM164251
PNG
(US9688615, 62)
Show SMILES CC(C)(C)NC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H16F6N4O/c1-13(2,3)25-12(26)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,23,24)(H2,22,25,26)
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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-1H


(Homo sapiens (Human))		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 |r|
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n/an/a 1.20E+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)


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))		BDBM164303
PNG
(US9688615, 114)
Show SMILES FC(F)(F)c1ccc(NC(=O)CN2CCNCC2=O)nc1
Show InChI InChI=1S/C12H13F3N4O2/c13-12(14,15)8-1-2-9(17-5-8)18-10(20)7-19-4-3-16-6-11(19)21/h1-2,5,16H,3-4,6-7H2,(H,17,18,20)
PDB

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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)


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))		BDBM164306
PNG
(US9688615, 117)
Show SMILES Cn1nc(cc1NC(=O)CN1CCNCC1=O)C(F)(F)F
Show InChI InChI=1S/C11H14F3N5O2/c1-18-8(4-7(17-18)11(12,13)14)16-9(20)6-19-3-2-15-5-10(19)21/h4,15H,2-3,5-6H2,1H3,(H,16,20)
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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)


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))		BDBM164319
PNG
(US9688615, 130)
Show SMILES CC1(C)NCCN(CC(=O)NC(c2ccccn2)C(F)(F)F)C1=O
Show InChI InChI=1S/C15H19F3N4O2/c1-14(2)13(24)22(8-7-20-14)9-11(23)21-12(15(16,17)18)10-5-3-4-6-19-10/h3-6,12,20H,7-9H2,1-2H3,(H,21,23)
PDB

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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-1H


(Homo sapiens (Human))		BDBM164325
PNG
(US9688615, 136)
Show SMILES CC(C)(O)Cn1c(CC2CCNCC2)nc2c(cc(cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H23F6N3O/c1-17(2,29)10-28-14-9-12(18(20,21)22)8-13(19(23,24)25)16(14)27-15(28)7-11-3-5-26-6-4-11/h8-9,11,26,29H,3-7,10H2,1-2H3
PDB

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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-1H


(Homo sapiens (Human))		BDBM164338
PNG
(US9688615, 149)
Show SMILES FC(F)(F)c1cc2nc(CN3CCNCC3=O)[nH]c2cc1C(F)(F)F
Show InChI InChI=1S/C14H12F6N4O/c15-13(16,17)7-3-9-10(4-8(7)14(18,19)20)23-11(22-9)6-24-2-1-21-5-12(24)25/h3-4,21H,1-2,5-6H2,(H,22,23)
PDB

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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)


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)
PDB

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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 T-type calcium channel subunit alpha-1H


(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)
PDB

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n/an/a 40n/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-1H


(Homo sapiens (Human))		BDBM164215
PNG
(US9688615, 26)
Show SMILES NC1(CC1)c1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H9F6N3/c13-11(14,15)5-3-6(12(16,17)18)8-7(4-5)20-9(21-8)10(19)1-2-10/h3-4H,1-2,19H2,(H,20,21)
PDB

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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)


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))		BDBM164253
PNG
(US9688615, 64)
Show SMILES COCCc1nc2c(cc(cc2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H10F6N2O/c1-21-3-2-9-19-8-5-6(11(13,14)15)4-7(10(8)20-9)12(16,17)18/h4-5H,2-3H2,1H3,(H,19,20)
PDB

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n/an/a 5.30E+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 T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM164303
PNG
(US9688615, 114)
Show SMILES FC(F)(F)c1ccc(NC(=O)CN2CCNCC2=O)nc1
Show InChI InChI=1S/C12H13F3N4O2/c13-12(14,15)8-1-2-9(17-5-8)18-10(20)7-19-4-3-16-6-11(19)21/h1-2,5,16H,3-4,6-7H2,(H,17,18,20)
PDB

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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)


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))		BDBM164314
PNG
(US9688615, 125)
Show SMILES CC(C)(C)NC(=O)Cn1c(CN2CCNCC2=O)nc2c(cc(cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H23F6N5O2/c1-18(2,3)29-15(32)10-31-13-7-11(19(21,22)23)6-12(20(24,25)26)17(13)28-14(31)9-30-5-4-27-8-16(30)33/h6-7,27H,4-5,8-10H2,1-3H3,(H,29,32)
PDB

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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)


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))		BDBM164330
PNG
(US9688615, 141)
Show SMILES CC1(C)NCCN(CC(=O)NCc2ccc(nc2)C(F)(F)F)C1=O
Show InChI InChI=1S/C15H19F3N4O2/c1-14(2)13(24)22(6-5-21-14)9-12(23)20-8-10-3-4-11(19-7-10)15(16,17)18/h3-4,7,21H,5-6,8-9H2,1-2H3,(H,20,23)
PDB

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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)


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))		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)
PDB

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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 L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM164204
PNG
(US9688615, 15)
Show SMILES NCCCC(=O)N1CC(Cc2nc3c(cc(cc3[nH]2)C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C17H18F6N4O/c18-16(19,20)10-5-11(17(21,22)23)15-12(6-10)25-13(26-15)4-9-7-27(8-9)14(28)2-1-3-24/h5-6,9H,1-4,7-8,24H2,(H,25,26)
PDB

UniProtKB/SwissProt

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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 L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM164211
PNG
(US9688615, 22)
Show SMILES NCC(=O)NCc1nc2cc(Cl)c(Cl)cc2[nH]1
Show InChI InChI=1S/C10H10Cl2N4O/c11-5-1-7-8(2-6(5)12)16-9(15-7)4-14-10(17)3-13/h1-2H,3-4,13H2,(H,14,17)(H,15,16)
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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 L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM164217
PNG
(US9688615, 28)
Show SMILES CC(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H9F6N3O/c1-5(22)19-4-9-20-8-3-6(11(13,14)15)2-7(10(8)21-9)12(16,17)18/h2-3H,4H2,1H3,(H,19,22)(H,20,21)
PDB

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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 L-type calcium channel subunit alpha-1C


(Homo sapiens (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 |r|
PDB

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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 L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM164240
PNG
(US9688615, 51)
Show SMILES FC(F)(F)c1cc(c2nc([nH]c2c1)[C@@H]1CCCN1)C(F)(F)F |r|
PDB

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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 L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM164245
PNG
(US9688615, 56)
Show SMILES CN(Cc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F)S(N)(=O)=O
Show InChI InChI=1S/C11H10F6N4O2S/c1-21(24(18,22)23)4-8-19-7-3-5(10(12,13)14)2-6(9(7)20-8)11(15,16)17/h2-3H,4H2,1H3,(H,19,20)(H2,18,22,23)
PDB

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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 L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM164246
PNG
(US9688615, 57)
Show SMILES CN(Cc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C12H11F6N3O2S/c1-21(24(2,22)23)5-9-19-8-4-6(11(13,14)15)3-7(10(8)20-9)12(16,17)18/h3-4H,5H2,1-2H3,(H,19,20)
PDB

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PC cid
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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
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* indicates data uncertainty>20%