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Patent code US9580415

Compile Data Set for Download or QSAR
Found 36 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
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291376
PNG
(4-[1-(4-Chlorophenyl)-2-(1- methyl-1H-pyrazol-4-yl...)
Show SMILES Cn1cc(cn1)-c1c(C2CCN(CC2)C(N)=O)c2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN6O/c1-28-14-16(12-27-28)22-21(15-7-10-29(11-8-15)23(25)31)19-6-9-26-13-20(19)30(22)18-4-2-17(24)3-5-18/h2-6,9,12-15H,7-8,10-11H2,1H3,(H2,25,31)
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US Patent
n/an/a<100n/an/an/an/an/an/a



Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291377
PNG
(4-[1-(4-Chlorophenyl)-2-(1-methyl-1H-pyrazol-5-yl)...)
Show SMILES Cn1nccc1-c1c(C2CCN(CC2)C(N)=O)c2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN6O/c1-28-19(7-11-27-28)22-21(15-8-12-29(13-9-15)23(25)31)18-6-10-26-14-20(18)30(22)17-4-2-16(24)3-5-17/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H2,25,31)
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n/an/a<100n/an/an/an/an/an/a



Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291372
PNG
(4-[1-(4-Chlorophenyl)-2-[6- (morpholin-4-yl)pyridi...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-c2ccc(nc2)N2CCOCC2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C28H29ClN6O2/c29-21-2-4-22(5-3-21)35-24-18-31-10-7-23(24)26(19-8-11-34(12-9-19)28(30)36)27(35)20-1-6-25(32-17-20)33-13-15-37-16-14-33/h1-7,10,17-19H,8-9,11-16H2,(H2,30,36)
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n/an/a<100n/an/an/an/an/an/a



Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291383
PNG
(4-[1-(4-Chlorophenyl)-3-(piperidin-4-yl)-1H-pyrrol...)
Show SMILES Clc1ccc(cc1)-n1c(c(C2CCNCC2)c2ccncc12)-c1ccncc1
Show InChI InChI=1S/C23H21ClN4/c24-18-1-3-19(4-2-18)28-21-15-27-14-9-20(21)22(16-5-10-25-11-6-16)23(28)17-7-12-26-13-8-17/h1-4,7-9,12-16,25H,5-6,10-11H2
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n/an/a<100n/an/an/an/an/an/a



Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291371
PNG
(4-[1-(4-Chlorophenyl)-2-[2-(4- methylpiperazin-1-y...)
Show SMILES CN1CCN(CC1)c1cc(ccn1)-c1c(C2CCN(CC2)C(N)=O)c2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H32ClN7O/c1-34-14-16-35(17-15-34)26-18-21(6-11-33-26)28-27(20-8-12-36(13-9-20)29(31)38)24-7-10-32-19-25(24)37(28)23-4-2-22(30)3-5-23/h2-7,10-11,18-20H,8-9,12-17H2,1H3,(H2,31,38)
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Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291370
PNG
(4-[1-(4-Chlorophenyl)-2-(2- methoxypyridin-4-yl)-1...)
Show SMILES COc1cc(ccn1)-c1c(C2CCN(CC2)C(N)=O)c2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN5O2/c1-33-22-14-17(6-11-29-22)24-23(16-8-12-30(13-9-16)25(27)32)20-7-10-28-15-21(20)31(24)19-4-2-18(26)3-5-19/h2-7,10-11,14-16H,8-9,12-13H2,1H3,(H2,27,32)
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Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291375
PNG
(4-[1-(4-Chlorophenyl)-2-(1H- pyrazo1-4-yl)-1H-pyrr...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-c2cn[nH]c2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C22H21ClN6O/c23-16-1-3-17(4-2-16)29-19-13-25-8-5-18(19)20(21(29)15-11-26-27-12-15)14-6-9-28(10-7-14)22(24)30/h1-5,8,11-14H,6-7,9-10H2,(H2,24,30)(H,26,27)
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Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291378
PNG
(4-[1-(4-Chlorophenyl)-2-(1- methyl-1H-imidazol-5-y...)
Show SMILES Cn1cncc1-c1c(C2CCN(CC2)C(N)=O)c2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN6O/c1-28-14-27-13-20(28)22-21(15-7-10-29(11-8-15)23(25)31)18-6-9-26-12-19(18)30(22)17-4-2-16(24)3-5-17/h2-6,9,12-15H,7-8,10-11H2,1H3,(H2,25,31)
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Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291369
PNG
(4-[1-(4-Chlorophenyl)-2-(6- methoxypyridin-3-yl)-1...)
Show SMILES COc1ccc(cn1)-c1c(C2CCN(CC2)C(N)=O)c2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN5O2/c1-33-22-7-2-17(14-29-22)24-23(16-9-12-30(13-10-16)25(27)32)20-8-11-28-15-21(20)31(24)19-5-3-18(26)4-6-19/h2-8,11,14-16H,9-10,12-13H2,1H3,(H2,27,32)
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Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291367
PNG
(4-[2-(6-Aminopyridin-3-yl)-1-(4-chlorophenyl)-1H-p...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-c2ccc(N)nc2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C24H23ClN6O/c25-17-2-4-18(5-3-17)31-20-14-28-10-7-19(20)22(15-8-11-30(12-9-15)24(27)32)23(31)16-1-6-21(26)29-13-16/h1-7,10,13-15H,8-9,11-12H2,(H2,26,29)(H2,27,32)
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Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM291372
PNG
(4-[1-(4-Chlorophenyl)-2-[6- (morpholin-4-yl)pyridi...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-c2ccc(nc2)N2CCOCC2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C28H29ClN6O2/c29-21-2-4-22(5-3-21)35-24-18-31-10-7-23(24)26(19-8-11-34(12-9-19)28(30)36)27(35)20-1-6-25(32-17-20)33-13-15-37-16-14-33/h1-7,10,17-19H,8-9,11-16H2,(H2,30,36)
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Proximagen Limited

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Assay Description
Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophy...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM291370
PNG
(4-[1-(4-Chlorophenyl)-2-(2- methoxypyridin-4-yl)-1...)
Show SMILES COc1cc(ccn1)-c1c(C2CCN(CC2)C(N)=O)c2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN5O2/c1-33-22-14-17(6-11-29-22)24-23(16-8-12-30(13-9-16)25(27)32)20-7-10-28-15-21(20)31(24)19-4-2-18(26)3-5-19/h2-7,10-11,14-16H,8-9,12-13H2,1H3,(H2,27,32)
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Proximagen Limited

US Patent


Assay Description
Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophy...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291386
PNG
(US9580415, Example 20 | {[1-(4-Chlorophenyl)-2-(py...)
Show SMILES CN(C)Cc1c(-c2cccnc2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C21H19ClN4/c1-25(2)14-19-18-9-11-24-13-20(18)26(17-7-5-16(22)6-8-17)21(19)15-4-3-10-23-12-15/h3-13H,14H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291374
PNG
(4-[1-(4-Chlorophenyl)-2-(1H- pyrazol-3-yl)-1H-pyrr...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-c2cc[nH]n2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C22H21ClN6O/c23-15-1-3-16(4-2-15)29-19-13-25-9-5-17(19)20(21(29)18-6-10-26-27-18)14-7-11-28(12-8-14)22(24)30/h1-6,9-10,13-14H,7-8,11-12H2,(H2,24,30)(H,26,27)
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Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291382
PNG
(4-[1-(4-Chlorophenyl)-2-(1H- 1,2,4-triazol-1-yl)-1...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-n2cncn2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C21H20ClN7O/c22-15-1-3-16(4-2-15)29-18-11-24-8-5-17(18)19(20(29)28-13-25-12-26-28)14-6-9-27(10-7-14)21(23)30/h1-5,8,11-14H,6-7,9-10H2,(H2,23,30)
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Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291380
PNG
(4-[1-(4-Chlorophenyl)-2-(1H- imidazol-1-yl)-1H-pyr...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-n2ccnc2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C22H21ClN6O/c23-16-1-3-17(4-2-16)29-19-13-25-8-5-18(19)20(21(29)28-12-9-26-14-28)15-6-10-27(11-7-15)22(24)30/h1-5,8-9,12-15H,6-7,10-11H2,(H2,24,30)
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Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291381
PNG
(4-[1-(4-Chlorophenyl)-2-(1H- 1,2,3-triazol-1-yl)-1...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-n2ccnn2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C21H20ClN7O/c22-15-1-3-16(4-2-15)29-18-13-24-8-5-17(18)19(20(29)28-12-9-25-26-28)14-6-10-27(11-7-14)21(23)30/h1-5,8-9,12-14H,6-7,10-11H2,(H2,23,30)
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Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291373
PNG
(4-[1-(4-Chlorophenyl)-2- (pyrimidin-5-yl)-1H-pyrro...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-c2cncnc2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C23H21ClN6O/c24-17-1-3-18(4-2-17)30-20-13-26-8-5-19(20)21(22(30)16-11-27-14-28-12-16)15-6-9-29(10-7-15)23(25)31/h1-5,8,11-15H,6-7,9-10H2,(H2,25,31)
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Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291379
PNG
(4-[1-(4-Chlorophenyl)-2-(1H- pyrazol-1-yl)-1H-pyrr...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-n2cccn2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C22H21ClN6O/c23-16-2-4-17(5-3-16)29-19-14-25-10-6-18(19)20(21(29)28-11-1-9-26-28)15-7-12-27(13-8-15)22(24)30/h1-6,9-11,14-15H,7-8,12-13H2,(H2,24,30)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291385
PNG
(US9580415, Example 19 | {[1-(4-Chlorophenyl)-2-(py...)
Show SMILES CN(C)Cc1c(-c2ccncc2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C21H19ClN4/c1-25(2)14-19-18-9-12-24-13-20(18)26(17-5-3-16(22)4-6-17)21(19)15-7-10-23-11-8-15/h3-13H,14H2,1-2H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291368
PNG
(4-[1-(4-Chlorophenyl)-2- (pyridin-3-yl)-1H-pyrrolo...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-c2cccnc2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C24H22ClN5O/c25-18-3-5-19(6-4-18)30-21-15-28-11-7-20(21)22(23(30)17-2-1-10-27-14-17)16-8-12-29(13-9-16)24(26)31/h1-7,10-11,14-16H,8-9,12-13H2,(H2,26,31)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291387
PNG
(4-[1-(4-Chlorophenyl)-2-(2H-1,2,3,4-tetrazol-5-yl)...)
Show SMILES Clc1ccc(cc1)-n1c(-c2nn[nH]n2)c(C2CCNCC2)c2ccncc12
Show InChI InChI=1S/C19H18ClN7/c20-13-1-3-14(4-2-13)27-16-11-22-10-7-15(16)17(12-5-8-21-9-6-12)18(27)19-23-25-26-24-19/h1-4,7,10-12,21H,5-6,8-9H2,(H,23,24,25,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM291384
PNG
(5-[1-(4-Chlorophenyl)-3-(piperidin-4-yl)-1H-pyrrol...)
Show SMILES Nc1ccc(cn1)-c1c(C2CCNCC2)c2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN5/c24-17-2-4-18(5-3-17)29-20-14-27-12-9-19(20)22(15-7-10-26-11-8-15)23(29)16-1-6-21(25)28-13-16/h1-6,9,12-15,26H,7-8,10-11H2,(H2,25,28)
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n/an/a<1.00E+3n/an/an/an/an/an/a



Proximagen Limited

US Patent


Assay Description
All primary assays were performed at RT. with purified recombinantly expressed human SSAO. Enzyme was prepared essentially as described in Öhman et a...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM291377
PNG
(4-[1-(4-Chlorophenyl)-2-(1-methyl-1H-pyrazol-5-yl)...)
Show SMILES Cn1nccc1-c1c(C2CCN(CC2)C(N)=O)c2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN6O/c1-28-19(7-11-27-28)22-21(15-8-12-29(13-9-15)23(25)31)18-6-10-26-14-20(18)30(22)17-4-2-16(24)3-5-17/h2-7,10-11,14-15H,8-9,12-13H2,1H3,(H2,25,31)
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n/an/a 5.50E+3n/an/an/an/a7.325



Proximagen Limited

US Patent


Assay Description
Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophy...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM291385
PNG
(US9580415, Example 19 | {[1-(4-Chlorophenyl)-2-(py...)
Show SMILES CN(C)Cc1c(-c2ccncc2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C21H19ClN4/c1-25(2)14-19-18-9-12-24-13-20(18)26(17-5-3-16(22)4-6-17)21(19)15-7-10-23-11-8-15/h3-13H,14H2,1-2H3
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n/an/a 5.50E+3n/an/an/an/a7.325



Proximagen Limited

US Patent


Assay Description
Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophy...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM291374
PNG
(4-[1-(4-Chlorophenyl)-2-(1H- pyrazol-3-yl)-1H-pyrr...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-c2cc[nH]n2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C22H21ClN6O/c23-15-1-3-16(4-2-15)29-19-13-25-9-5-17(19)20(21(29)18-6-10-26-27-18)14-7-11-28(12-8-14)22(24)30/h1-6,9-10,13-14H,7-8,11-12H2,(H2,24,30)(H,26,27)
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n/an/a 5.50E+3n/an/an/an/a7.325



Proximagen Limited

US Patent


Assay Description
Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophy...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM291383
PNG
(4-[1-(4-Chlorophenyl)-3-(piperidin-4-yl)-1H-pyrrol...)
Show SMILES Clc1ccc(cc1)-n1c(c(C2CCNCC2)c2ccncc12)-c1ccncc1
Show InChI InChI=1S/C23H21ClN4/c24-18-1-3-19(4-2-18)28-21-15-27-14-9-20(21)22(16-5-10-25-11-6-16)23(28)17-7-12-26-13-8-17/h1-4,7-9,12-16,25H,5-6,10-11H2
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n/an/a 5.50E+3n/an/an/an/a7.325



Proximagen Limited

US Patent


Assay Description
Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophy...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM291368
PNG
(4-[1-(4-Chlorophenyl)-2- (pyridin-3-yl)-1H-pyrrolo...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-c2cccnc2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C24H22ClN5O/c25-18-3-5-19(6-4-18)30-21-15-28-11-7-20(21)22(23(30)17-2-1-10-27-14-17)16-8-12-29(13-9-16)24(26)31/h1-7,10-11,14-16H,8-9,12-13H2,(H2,26,31)
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n/an/a 5.50E+3n/an/an/an/a7.325



Proximagen Limited

US Patent


Assay Description
Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophy...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM291367
PNG
(4-[2-(6-Aminopyridin-3-yl)-1-(4-chlorophenyl)-1H-p...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-c2ccc(N)nc2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C24H23ClN6O/c25-17-2-4-18(5-3-17)31-20-14-28-10-7-19(20)22(15-8-11-30(12-9-15)24(27)32)23(31)16-1-6-21(26)29-13-16/h1-7,10,13-15H,8-9,11-12H2,(H2,26,29)(H2,27,32)
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n/an/a 5.50E+3n/an/an/an/a7.325



Proximagen Limited

US Patent


Assay Description
Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophy...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM291373
PNG
(4-[1-(4-Chlorophenyl)-2- (pyrimidin-5-yl)-1H-pyrro...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-c2cncnc2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C23H21ClN6O/c24-17-1-3-18(4-2-17)30-20-13-26-8-5-19(20)21(22(30)16-11-27-14-28-12-16)15-6-9-29(10-7-15)23(25)31/h1-5,8,11-15H,6-7,9-10H2,(H2,25,31)
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n/an/a 5.50E+3n/an/an/an/a7.325



Proximagen Limited

US Patent


Assay Description
Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophy...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM291379
PNG
(4-[1-(4-Chlorophenyl)-2-(1H- pyrazol-1-yl)-1H-pyrr...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-n2cccn2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C22H21ClN6O/c23-16-2-4-17(5-3-16)29-19-14-25-10-6-18(19)20(21(29)28-11-1-9-26-28)15-7-12-27(13-8-15)22(24)30/h1-6,9-11,14-15H,7-8,12-13H2,(H2,24,30)
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Proximagen Limited

US Patent


Assay Description
Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophy...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM291387
PNG
(4-[1-(4-Chlorophenyl)-2-(2H-1,2,3,4-tetrazol-5-yl)...)
Show SMILES Clc1ccc(cc1)-n1c(-c2nn[nH]n2)c(C2CCNCC2)c2ccncc12
Show InChI InChI=1S/C19H18ClN7/c20-13-1-3-14(4-2-13)27-16-11-22-10-7-15(16)17(12-5-8-21-9-6-12)18(27)19-23-25-26-24-19/h1-4,7,10-12,21H,5-6,8-9H2,(H,23,24,25,26)
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Proximagen Limited

US Patent


Assay Description
Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophy...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM291375
PNG
(4-[1-(4-Chlorophenyl)-2-(1H- pyrazo1-4-yl)-1H-pyrr...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-c2cn[nH]c2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C22H21ClN6O/c23-16-1-3-17(4-2-16)29-19-13-25-8-5-18(19)20(21(29)15-11-26-27-12-15)14-6-9-28(10-7-14)22(24)30/h1-5,8,11-14H,6-7,9-10H2,(H2,24,30)(H,26,27)
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Proximagen Limited

US Patent


Assay Description
Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophy...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM291378
PNG
(4-[1-(4-Chlorophenyl)-2-(1- methyl-1H-imidazol-5-y...)
Show SMILES Cn1cncc1-c1c(C2CCN(CC2)C(N)=O)c2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN6O/c1-28-14-27-13-20(28)22-21(15-7-10-29(11-8-15)23(25)31)18-6-9-26-12-19(18)30(22)17-4-2-16(24)3-5-17/h2-6,9,12-15H,7-8,10-11H2,1H3,(H2,25,31)
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Proximagen Limited

US Patent


Assay Description
Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophy...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM291380
PNG
(4-[1-(4-Chlorophenyl)-2-(1H- imidazol-1-yl)-1H-pyr...)
Show SMILES NC(=O)N1CCC(CC1)c1c(-n2ccnc2)n(-c2ccc(Cl)cc2)c2cnccc12
Show InChI InChI=1S/C22H21ClN6O/c23-16-1-3-17(4-2-16)29-19-13-25-8-5-18(19)20(21(29)28-12-9-26-14-28)15-6-10-27(11-7-15)22(24)30/h1-5,8-9,12-15H,6-7,10-11H2,(H2,24,30)
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Proximagen Limited

US Patent


Assay Description
Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophy...


US Patent US9580415 (2017)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM291384
PNG
(5-[1-(4-Chlorophenyl)-3-(piperidin-4-yl)-1H-pyrrol...)
Show SMILES Nc1ccc(cn1)-c1c(C2CCNCC2)c2ccncc2n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN5/c24-17-2-4-18(5-3-17)29-20-14-27-12-9-19(20)22(15-7-10-26-11-8-15)23(29)16-1-6-21(25)28-13-16/h1-6,9,12-15,26H,7-8,10-11H2,(H2,25,28)
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n/an/a>1.00E+4n/an/an/an/a7.325



Proximagen Limited

US Patent


Assay Description
Compounds of the invention were tested for inhibition of the human ether a go-go related gene (hERG) K+ channel using IonWorks patch clamp electrophy...


US Patent US9580415 (2017)

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