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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))		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

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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))		BDBM164219
PNG
(US9688615, 30)
Show SMILES FC(F)(F)COc1ccc(cc1)-c1ccc2nc(Cc3cncnc3)[nH]c2c1
Show InChI InChI=1S/C20H15F3N4O/c21-20(22,23)11-28-16-4-1-14(2-5-16)15-3-6-17-18(8-15)27-19(26-17)7-13-9-24-12-25-10-13/h1-6,8-10,12H,7,11H2,(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))		BDBM164225
PNG
(US9688615, 36)
Show SMILES CC(C)(N)C(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H14F6N4O/c1-12(2,21)11(25)22-5-9-23-8-4-6(13(15,16)17)3-7(10(8)24-9)14(18,19)20/h3-4H,5,21H2,1-2H3,(H,22,25)(H,23,24)
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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))		BDBM164226
PNG
(US9688615, 37)
Show SMILES CC(C)(CN)C(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H16F6N4O/c1-13(2,6-22)12(26)23-5-10-24-9-4-7(14(16,17)18)3-8(11(9)25-10)15(19,20)21/h3-4H,5-6,22H2,1-2H3,(H,23,26)(H,24,25)
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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|
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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))		BDBM164254
PNG
(US9688615, 65)
Show SMILES FC(F)(F)Cc1nc2c(cc(cc2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C11H5F9N2/c12-9(13,14)3-7-21-6-2-4(10(15,16)17)1-5(8(6)22-7)11(18,19)20/h1-2H,3H2,(H,21,22)
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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))		BDBM164300
PNG
(US9688615, 111)
Show SMILES CC1(C)NCCN(Cc2nc3c(cc(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)7-11-24-10-6-8(15(17,18)19)5-9(12(10)25-11)16(20,21)22/h5-6,23H,3-4,7H2,1-2H3,(H,24,25)
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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))		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)
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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))		BDBM164333
PNG
(US9688615, 144)
Show SMILES CC(C)(O)Cn1c(CN2CCNCC2=O)nc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C16H20Cl2N4O2/c1-16(2,24)9-22-13-6-11(18)10(17)5-12(13)20-14(22)8-21-4-3-19-7-15(21)23/h5-6,19,24H,3-4,7-9H2,1-2H3
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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))		BDBM164219
PNG
(US9688615, 30)
Show SMILES FC(F)(F)COc1ccc(cc1)-c1ccc2nc(Cc3cncnc3)[nH]c2c1
Show InChI InChI=1S/C20H15F3N4O/c21-20(22,23)11-28-16-4-1-14(2-5-16)15-3-6-17-18(8-15)27-19(26-17)7-13-9-24-12-25-10-13/h1-6,8-10,12H,7,11H2,(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))		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)
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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))		BDBM164249
PNG
(US9688615, 60)
Show SMILES CC(C)(C)C(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H15F6N3O/c1-13(2,3)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
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))		BDBM164307
PNG
(US9688615, 118)
Show SMILES FC(F)(F)c1ccc(NC(=O)CC2CCNCC2)nn1
Show InChI InChI=1S/C12H15F3N4O/c13-12(14,15)9-1-2-10(19-18-9)17-11(20)7-8-3-5-16-6-4-8/h1-2,8,16H,3-7H2,(H,17,19,20)
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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))		BDBM164315
PNG
(US9688615, 126)
Show SMILES FC(F)(F)c1cc(c2[nH]c(CCN3CCNCC3=O)nc2c1)C(F)(F)F
Show InChI InChI=1S/C15H14F6N4O/c16-14(17,18)8-5-9(15(19,20)21)13-10(6-8)23-11(24-13)1-3-25-4-2-22-7-12(25)26/h5-6,22H,1-4,7H2,(H,23,24)
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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))		BDBM164321
PNG
(US9688615, 132)
Show SMILES FC(F)(F)C(NC(=O)CC1CCNCC1)c1ccccn1
Show InChI InChI=1S/C14H18F3N3O/c15-14(16,17)13(11-3-1-2-6-19-11)20-12(21)9-10-4-7-18-8-5-10/h1-3,6,10,13,18H,4-5,7-9H2,(H,20,21)
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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))		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
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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))		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)
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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
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))		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)
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
Sodium channel protein type 5 subunit alpha


(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))		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)
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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))		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
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))		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 |r|
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 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)
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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))		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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n/an/a 4.30E+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 L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		BDBM164226
PNG
(US9688615, 37)
Show SMILES CC(C)(CN)C(=O)NCc1nc2cc(cc(c2[nH]1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H16F6N4O/c1-13(2,6-22)12(26)23-5-10-24-9-4-7(14(16,17)18)3-8(11(9)25-10)15(19,20)21/h3-4H,5-6,22H2,1-2H3,(H,23,26)(H,24,25)
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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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))		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)
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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))		BDBM164304
PNG
(US9688615, 115)
Show SMILES Cc1nc(ccc1NC(=O)CN1CCNCC1=O)C(F)(F)F
Show InChI InChI=1S/C13H15F3N4O2/c1-8-9(2-3-10(18-8)13(14,15)16)19-11(21)7-20-5-4-17-6-12(20)22/h2-3,17H,4-7H2,1H3,(H,19,21)
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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))		BDBM164333
PNG
(US9688615, 144)
Show SMILES CC(C)(O)Cn1c(CN2CCNCC2=O)nc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C16H20Cl2N4O2/c1-16(2,24)9-22-13-6-11(18)10(17)5-12(13)20-14(22)8-21-4-3-19-7-15(21)23/h5-6,19,24H,3-4,7-9H2,1-2H3
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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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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))		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 |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))		BDBM164307
PNG
(US9688615, 118)
Show SMILES FC(F)(F)c1ccc(NC(=O)CC2CCNCC2)nn1
Show InChI InChI=1S/C12H15F3N4O/c13-12(14,15)9-1-2-10(19-18-9)17-11(20)7-8-3-5-16-6-4-8/h1-2,8,16H,3-7H2,(H,17,19,20)
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))		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
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))		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)
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))		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)
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))		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)
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))		BDBM164313
PNG
(US9688615, 124)
Show SMILES CC(C)(C)NC(=O)Cn1c(CN2CCNCC2=O)nc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C18H23Cl2N5O2/c1-18(2,3)23-16(26)10-25-14-7-12(20)11(19)6-13(14)22-15(25)9-24-5-4-21-8-17(24)27/h6-7,21H,4-5,8-10H2,1-3H3,(H,23,26)
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))		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
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))		BDBM164341
PNG
(US9688615, 152)
Show SMILES CC(C)(C)NC(=O)Cn1c(CN2CCNC(C)(C)C2=O)nc2cc(c(cc12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H27F6N5O2/c1-19(2,3)31-17(34)11-33-15-9-13(22(26,27)28)12(21(23,24)25)8-14(15)30-16(33)10-32-7-6-29-20(4,5)18(32)35/h8-9,29H,6-7,10-11H2,1-5H3,(H,31,34)
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))		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)
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))		BDBM164248
PNG
(US9688615, 59)
Show SMILES FC(F)(F)c1cc(c2[nH]c(Cc3cncnc3)nc2c1)C(F)(F)F
Show InChI InChI=1S/C14H8F6N4/c15-13(16,17)8-2-9(14(18,19)20)12-10(3-8)23-11(24-12)1-7-4-21-6-22-5-7/h2-6H,1H2,(H,23,24)
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))		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)
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))		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|
PDB

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n/an/a 6.40E+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 L-type calcium channel subunit alpha-1C


(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
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))		BDBM164313
PNG
(US9688615, 124)
Show SMILES CC(C)(C)NC(=O)Cn1c(CN2CCNCC2=O)nc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C18H23Cl2N5O2/c1-18(2,3)23-16(26)10-25-14-7-12(20)11(19)6-13(14)22-15(25)9-24-5-4-21-8-17(24)27/h6-7,21H,4-5,8-10H2,1-3H3,(H,23,26)
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))		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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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))		BDBM164210
PNG
(US9688615, 21)
Show SMILES NCc1nc2cc(Cl)c(Cl)cc2[nH]1
Show InChI InChI=1S/C8H7Cl2N3/c9-4-1-6-7(2-5(4)10)13-8(3-11)12-6/h1-2H,3,11H2,(H,12,13)
PDB

UniProtKB/SwissProt

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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 L-type calcium channel subunit alpha-1C


(Homo sapiens (Human))		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)
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
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* indicates data uncertainty>20%