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USPatent US10125100

Compile data set for download or QSAR
Found 10 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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM298404
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C42H49N7O7S/c1-42(2,3)26-22-34(39(55-6)35(23-26)48-57(7,52)53)47-41(51)46-33-14-15-36(31-11-9-8-10-30(31)33)56-29-16-19-43-38(25-29)44-28-12-13-32(37(24-28)54-5)40(50)45-27-17-20-49(4)21-18-27/h8-16,19,22-25,27,48H,17-18,20-21H2,1-7H3,(H,43,44)(H,45,50)(H2,46,47,51)
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n/an/a>3.30E+3n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
ompounds of the invention were tested for inhibition of the human ether a go-go (hERG) channel using IonWorks patch clamp electrophysiology at Essen ...

US Patent US10125100 (2018)


BindingDB Entry DOI: 10.7270/Q2XW4MV4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM255476
PNG
(US10125100, Example 1 | US10392346, Example 1 | US...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H37N5O8S/c1-36(2,3)21-17-28(33(48-5)29(18-21)41-50(6,45)46)40-35(44)39-27-13-14-30(25-10-8-7-9-24(25)27)49-23-15-16-37-32(20-23)38-22-11-12-26(34(42)43)31(19-22)47-4/h7-20,41H,1-6H3,(H,37,38)(H,42,43)(H2,39,40,44)
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n/an/a>3.30E+3n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
ompounds of the invention were tested for inhibition of the human ether a go-go (hERG) channel using IonWorks patch clamp electrophysiology at Essen ...

US Patent US10125100 (2018)


BindingDB Entry DOI: 10.7270/Q2XW4MV4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM298375
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H49N7O8S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-58(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-18-49-19-21-56-22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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Topivert Pharma Limited

US Patent


Assay Description
ompounds of the invention were tested for inhibition of the human ether a go-go (hERG) channel using IonWorks patch clamp electrophysiology at Essen ...

US Patent US10125100 (2018)


BindingDB Entry DOI: 10.7270/Q2XW4MV4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM298439
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCN(C)CC1
Show InChI InChI=1S/C44H54N8O8S/c1-44(2,3)28-23-34(41(59-7)35(24-28)50-61(8,55)56)49-43(54)48-33-13-14-36(32-12-10-9-11-31(32)33)60-30-15-16-45-39(27-30)47-29-25-37(57-5)40(38(26-29)58-6)42(53)46-17-18-52-21-19-51(4)20-22-52/h9-16,23-27,50H,17-22H2,1-8H3,(H,45,47)(H,46,53)(H2,48,49,54)
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n/an/a>3.70E+3n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
ompounds of the invention were tested for inhibition of the human ether a go-go (hERG) channel using IonWorks patch clamp electrophysiology at Essen ...

US Patent US10125100 (2018)


BindingDB Entry DOI: 10.7270/Q2XW4MV4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM298449
PNG
(2-(2-(2-(4-((4-((4-(3-(5-(tert-butyl)-2-methoxy-3-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCOP(O)(O)=O
Show InChI InChI=1S/C43H53N6O14PS/c1-43(2,3)27-22-33(40(59-6)34(23-27)49-65(7,55)56)48-42(51)47-32-12-13-35(31-11-9-8-10-30(31)32)63-29-14-15-44-38(26-29)46-28-24-36(57-4)39(37(25-28)58-5)41(50)45-16-17-60-18-19-61-20-21-62-64(52,53)54/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,50)(H2,47,48,51)(H2,52,53,54)
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Topivert Pharma Limited

US Patent


Assay Description
ompounds of the invention were tested for inhibition of the human ether a go-go (hERG) channel using IonWorks patch clamp electrophysiology at Essen ...

US Patent US10125100 (2018)


BindingDB Entry DOI: 10.7270/Q2XW4MV4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM298446
PNG
((4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methyls...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1P(C)(O)=O
Show InChI InChI=1S/C36H40N5O8PS/c1-36(2,3)22-18-28(34(48-5)29(19-22)41-51(7,45)46)40-35(42)39-27-13-14-30(26-11-9-8-10-25(26)27)49-24-16-17-37-33(21-24)38-23-12-15-32(50(6,43)44)31(20-23)47-4/h8-21,41H,1-7H3,(H,37,38)(H,43,44)(H2,39,40,42)
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Topivert Pharma Limited

US Patent


Assay Description
ompounds of the invention were tested for inhibition of the human ether a go-go (hERG) channel using IonWorks patch clamp electrophysiology at Essen ...

US Patent US10125100 (2018)


BindingDB Entry DOI: 10.7270/Q2XW4MV4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM298444
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-(2-hydroxyacetamido...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NC(=O)CO)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C43H49N7O8S/c1-43(2,3)27-22-34(47-39(52)26-51)40(57-5)35(23-27)49-42(54)48-33-12-13-36(31-9-7-6-8-30(31)33)58-29-14-15-44-38(25-29)46-28-10-11-32(37(24-28)56-4)41(53)45-16-17-50-18-20-59(55)21-19-50/h6-15,22-25,51H,16-21,26H2,1-5H3,(H,44,46)(H,45,53)(H,47,52)(H2,48,49,54)
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Topivert Pharma Limited

US Patent


Assay Description
ompounds of the invention were tested for inhibition of the human ether a go-go (hERG) channel using IonWorks patch clamp electrophysiology at Essen ...

US Patent US10125100 (2018)


BindingDB Entry DOI: 10.7270/Q2XW4MV4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM298451
PNG
(Ethyl (4-((4-((4-(3-(5-(tert-butyl)-2-methoxy-3-(m...)
Show SMILES CCOP(C)(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C38H44N5O8PS/c1-9-50-52(7,45)34-17-14-25(22-33(34)48-5)40-35-23-26(18-19-39-35)51-32-16-15-29(27-12-10-11-13-28(27)32)41-37(44)42-30-20-24(38(2,3)4)21-31(36(30)49-6)43-53(8,46)47/h10-23,43H,9H2,1-8H3,(H,39,40)(H2,41,42,44)
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Topivert Pharma Limited

US Patent


Assay Description
ompounds of the invention were tested for inhibition of the human ether a go-go (hERG) channel using IonWorks patch clamp electrophysiology at Essen ...

US Patent US10125100 (2018)


BindingDB Entry DOI: 10.7270/Q2XW4MV4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM298441
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCO
Show InChI InChI=1S/C43H52N6O11S/c1-43(2,3)27-22-33(40(57-6)34(23-27)49-61(7,53)54)48-42(52)47-32-12-13-35(31-11-9-8-10-30(31)32)60-29-14-15-44-38(26-29)46-28-24-36(55-4)39(37(25-28)56-5)41(51)45-16-18-58-20-21-59-19-17-50/h8-15,22-26,49-50H,16-21H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
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Topivert Pharma Limited

US Patent


Assay Description
ompounds of the invention were tested for inhibition of the human ether a go-go (hERG) channel using IonWorks patch clamp electrophysiology at Essen ...

US Patent US10125100 (2018)


BindingDB Entry DOI: 10.7270/Q2XW4MV4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM298450
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-(N-(2-hydroxyethyl)...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(N(CCO)S(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C44H53N7O9S2/c1-44(2,3)29-25-36(41(59-5)37(26-29)51(19-22-52)62(6,56)57)49-43(54)48-35-13-14-38(33-10-8-7-9-32(33)35)60-31-15-16-45-40(28-31)47-30-11-12-34(39(27-30)58-4)42(53)46-17-18-50-20-23-61(55)24-21-50/h7-16,25-28,52H,17-24H2,1-6H3,(H,45,47)(H,46,53)(H2,48,49,54)
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Topivert Pharma Limited

US Patent


Assay Description
ompounds of the invention were tested for inhibition of the human ether a go-go (hERG) channel using IonWorks patch clamp electrophysiology at Essen ...

US Patent US10125100 (2018)


BindingDB Entry DOI: 10.7270/Q2XW4MV4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%