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Patent code US10174013

Compile Data Set for Download or QSAR
Found 42 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
herg


(Homo sapiens (human))
BDBM319770
PNG
(US10174013, Example 1AE)
Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCCCC(N)C1
Show InChI InChI=1S/C15H19Br2N5O2/c1-2-21-11-7-10(16)12(17)14(22(23)24)13(11)19-15(21)20-6-4-3-5-9(18)8-20/h7,9H,2-6,8,18H2,1H3
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n/an/a 400n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319772
PNG
(US10174013, Example 1AI)
Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C14H17Br2N5O2/c1-2-20-10-6-9(15)11(16)13(21(22)23)12(10)18-14(20)19-5-3-4-8(17)7-19/h6,8H,2-5,7,17H2,1H3/t8-/m1/s1
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SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319757
PNG
(US10174013, Example 1M)
Show SMILES CCCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C14H17Br2N5O2/c1-2-5-20-10-8-9(15)11(16)13(21(22)23)12(10)18-14(20)19-6-3-17-4-7-19/h8,17H,2-7H2,1H3
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SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319786
PNG
(US10174013, Example 1BM)
Show SMILES CC(C)n1c(nc2c(C#N)c(Br)c(Br)cc12)N1CCOC(CN)C1
Show InChI InChI=1S/C16H19Br2N5O/c1-9(2)23-13-5-12(17)14(18)11(7-20)15(13)21-16(23)22-3-4-24-10(6-19)8-22/h5,9-10H,3-4,6,8,19H2,1-2H3
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SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319753
PNG
(US10174013, Example 8A)
Show SMILES CCn1c(nc2c(C#N)c(Br)c(Br)cc12)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H23Br2N5O2/c1-5-26-14-10-13(20)15(21)12(11-22)16(14)23-17(26)24-6-8-25(9-7-24)18(27)28-19(2,3)4/h10H,5-9H2,1-4H3
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n/an/a 770n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319755
PNG
(US10174013, Example 22A | US10174013, Example 22AB...)
Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNC(=O)C1
Show InChI InChI=1S/C13H13Br2N5O3/c1-2-19-8-5-7(14)10(15)12(20(22)23)11(8)17-13(19)18-4-3-16-9(21)6-18/h5H,2-4,6H2,1H3,(H,16,21)
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SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319779
PNG
(US10174013, Example 1AX)
Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNC[C@H]1C
Show InChI InChI=1S/C15H19Br2N5O2/c1-8(2)21-11-6-10(16)12(17)14(22(23)24)13(11)19-15(21)20-5-4-18-7-9(20)3/h6,8-9,18H,4-5,7H2,1-3H3/t9-/m1/s1
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n/an/a 1.23E+3n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319758
PNG
(US10174013, Example 1N)
Show SMILES CC(C)Cn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C15H19Br2N5O2/c1-9(2)8-21-11-7-10(16)12(17)14(22(23)24)13(11)19-15(21)20-5-3-18-4-6-20/h7,9,18H,3-6,8H2,1-2H3
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n/an/a 1.28E+3n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319769
PNG
(US10174013, Example 1AD)
Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1C
Show InChI InChI=1S/C14H17Br2N5O2/c1-3-19-10-6-9(15)11(16)13(21(22)23)12(10)18-14(19)20-5-4-17-7-8(20)2/h6,8,17H,3-5,7H2,1-2H3
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SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319774
PNG
(US10174013, Example 1AM)
Show SMILES CCn1c(NCC2CCCN2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H17Br2N5O2/c1-2-20-10-6-9(15)11(16)13(21(22)23)12(10)19-14(20)18-7-8-4-3-5-17-8/h6,8,17H,2-5,7H2,1H3,(H,18,19)
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SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319759
PNG
(US10174013, Example 2A | US10174013, Example 2C | ...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1nc2c(c(Br)c(Br)cc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C16H19Br2N5O4/c1-16(2,3)27-15(24)22-6-4-21(5-7-22)14-19-10-8-9(17)11(18)13(23(25)26)12(10)20-14/h8H,4-7H2,1-3H3,(H,19,20)
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SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319752
PNG
(US10174013, Example 1A | US10174013, Example 1X | ...)
Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C13H15Br2N5O2/c1-2-19-9-7-8(14)10(15)12(20(21)22)11(9)17-13(19)18-5-3-16-4-6-18/h7,16H,2-6H2,1H3
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SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319755
PNG
(US10174013, Example 22A | US10174013, Example 22AB...)
Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNC(=O)C1
Show InChI InChI=1S/C13H13Br2N5O3/c1-2-19-8-5-7(14)10(15)12(20(22)23)11(8)17-13(19)18-4-3-16-9(21)6-18/h5H,2-4,6H2,1H3,(H,16,21)
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n/an/a 1.78E+3n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319775
PNG
(US10174013, Example 1AP)
Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCC[C@H](N)C1
Show InChI InChI=1S/C15H19Br2N5O2/c1-8(2)21-11-6-10(16)12(17)14(22(23)24)13(11)19-15(21)20-5-3-4-9(18)7-20/h6,8-9H,3-5,7,18H2,1-2H3/t9-/m0/s1
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SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319776
PNG
(US10174013, Example 1AQ)
Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCOC(CN)C1
Show InChI InChI=1S/C15H19Br2N5O3/c1-8(2)21-11-5-10(16)12(17)14(22(23)24)13(11)19-15(21)20-3-4-25-9(6-18)7-20/h5,8-9H,3-4,6-7,18H2,1-2H3
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SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319768
PNG
(US10174013, Example 1AC)
Show SMILES CC(C)Cn1c(NC2CCCNCC2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C17H23Br2N5O2/c1-10(2)9-23-13-8-12(18)14(19)16(24(25)26)15(13)22-17(23)21-11-4-3-6-20-7-5-11/h8,10-11,20H,3-7,9H2,1-2H3,(H,21,22)
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SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319781
PNG
(US10174013, Example 1AZ)
Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CC[C@H](N)C1
Show InChI InChI=1S/C14H17Br2N5O2/c1-7(2)20-10-5-9(15)11(16)13(21(22)23)12(10)18-14(20)19-4-3-8(17)6-19/h5,7-8H,3-4,6,17H2,1-2H3/t8-/m0/s1
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SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319760
PNG
(US10174013, Example 1P)
Show SMILES CCCn1c(NCCCN)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C13H17Br2N5O2/c1-2-6-19-9-7-8(14)10(15)12(20(21)22)11(9)18-13(19)17-5-3-4-16/h7H,2-6,16H2,1H3,(H,17,18)
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SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319755
PNG
(US10174013, Example 22A | US10174013, Example 22AB...)
Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNC(=O)C1
Show InChI InChI=1S/C13H13Br2N5O3/c1-2-19-8-5-7(14)10(15)12(20(22)23)11(8)17-13(19)18-4-3-16-9(21)6-18/h5H,2-4,6H2,1H3,(H,16,21)
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n/an/a 2.02E+3n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319765
PNG
(US10174013, Example 1AA)
Show SMILES CCn1c(N[C@H]2CCCNC2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H17Br2N5O2/c1-2-20-10-6-9(15)11(16)13(21(22)23)12(10)19-14(20)18-8-4-3-5-17-7-8/h6,8,17H,2-5,7H2,1H3,(H,18,19)/t8-/m0/s1
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n/an/a 2.27E+3n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319773
PNG
(US10174013, Example 1AL)
Show SMILES CCn1c(NCCN)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C11H13Br2N5O2/c1-2-17-7-5-6(12)8(13)10(18(19)20)9(7)16-11(17)15-4-3-14/h5H,2-4,14H2,1H3,(H,15,16)
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n/an/a 2.42E+3n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319759
PNG
(US10174013, Example 2A | US10174013, Example 2C | ...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1nc2c(c(Br)c(Br)cc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C16H19Br2N5O4/c1-16(2,3)27-15(24)22-6-4-21(5-7-22)14-19-10-8-9(17)11(18)13(23(25)26)12(10)20-14/h8H,4-7H2,1-3H3,(H,19,20)
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SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319759
PNG
(US10174013, Example 2A | US10174013, Example 2C | ...)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1nc2c(c(Br)c(Br)cc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C16H19Br2N5O4/c1-16(2,3)27-15(24)22-6-4-21(5-7-22)14-19-10-8-9(17)11(18)13(23(25)26)12(10)20-14/h8H,4-7H2,1-3H3,(H,19,20)
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n/an/a 3.06E+3n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319780
PNG
(US10174013, Example 1AY)
Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CC[C@@H](N)C1
Show InChI InChI=1S/C14H17Br2N5O2/c1-7(2)20-10-5-9(15)11(16)13(21(22)23)12(10)18-14(20)19-4-3-8(17)6-19/h5,7-8H,3-4,6,17H2,1-2H3/t8-/m1/s1
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n/an/a 3.88E+3n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319777
PNG
(US10174013, Example 1AR)
Show SMILES CC(C)n1c(NCC2CNCCO2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H19Br2N5O3/c1-8(2)21-11-5-10(16)12(17)14(22(23)24)13(11)20-15(21)19-7-9-6-18-3-4-25-9/h5,8-9,18H,3-4,6-7H2,1-2H3,(H,19,20)
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n/an/a 4.17E+3n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319784
PNG
(US10174013, Example 1BD)
Show SMILES CC(C)n1c(N[C@H]2CCNC2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H17Br2N5O2/c1-7(2)20-10-5-9(15)11(16)13(21(22)23)12(10)19-14(20)18-8-3-4-17-6-8/h5,7-8,17H,3-4,6H2,1-2H3,(H,18,19)/t8-/m0/s1
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n/an/a 4.34E+3n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319771
PNG
(US10174013, Example 1AH)
Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCC[C@H](N)C1
Show InChI InChI=1S/C14H17Br2N5O2/c1-2-20-10-6-9(15)11(16)13(21(22)23)12(10)18-14(20)19-5-3-4-8(17)7-19/h6,8H,2-5,7,17H2,1H3/t8-/m0/s1
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n/an/a 4.99E+3n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319783
PNG
(US10174013, Example 1BI)
Show SMILES CC(C)n1c(nc2c(C#N)c(Br)c(Br)cc12)N1CC[C@@H](N)C1
Show InChI InChI=1S/C15H17Br2N5/c1-8(2)22-12-5-11(16)13(17)10(6-18)14(12)20-15(22)21-4-3-9(19)7-21/h5,8-9H,3-4,7,19H2,1-2H3/t9-/m1/s1
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n/an/a 5.17E+3n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319778
PNG
(US10174013, Example 1AS)
Show SMILES CC(C)n1c(N[C@@H]2CCCNC2)nc2c(c(Br)c(Br)cc12)[N+]([O-])=O
Show InChI InChI=1S/C15H19Br2N5O2/c1-8(2)21-11-6-10(16)12(17)14(22(23)24)13(11)20-15(21)19-9-4-3-5-18-7-9/h6,8-9,18H,3-5,7H2,1-2H3,(H,19,20)/t9-/m1/s1
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n/an/a 5.77E+3n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319767
PNG
(US10174013, Example 1AB)
Show SMILES NCCCNc1nc2c(c(Br)c(Br)cc2n1CC1CC1)[N+]([O-])=O
Show InChI InChI=1S/C14H17Br2N5O2/c15-9-6-10-12(13(11(9)16)21(22)23)19-14(18-5-1-4-17)20(10)7-8-2-3-8/h6,8H,1-5,7,17H2,(H,18,19)
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n/an/a 8.93E+3n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319755
PNG
(US10174013, Example 22A | US10174013, Example 22AB...)
Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNC(=O)C1
Show InChI InChI=1S/C13H13Br2N5O3/c1-2-19-8-5-7(14)10(15)12(20(22)23)11(8)17-13(19)18-4-3-16-9(21)6-18/h5H,2-4,6H2,1H3,(H,16,21)
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n/an/a 1.01E+4n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319755
PNG
(US10174013, Example 22A | US10174013, Example 22AB...)
Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNC(=O)C1
Show InChI InChI=1S/C13H13Br2N5O3/c1-2-19-8-5-7(14)10(15)12(20(22)23)11(8)17-13(19)18-4-3-16-9(21)6-18/h5H,2-4,6H2,1H3,(H,16,21)
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n/an/a 1.19E+4n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319752
PNG
(US10174013, Example 1A | US10174013, Example 1X | ...)
Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C13H15Br2N5O2/c1-2-19-9-7-8(14)10(15)12(20(21)22)11(9)17-13(19)18-5-3-16-4-6-18/h7,16H,2-6H2,1H3
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n/an/a 1.69E+4n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
herg


(Homo sapiens (human))
BDBM319752
PNG
(US10174013, Example 1A | US10174013, Example 1X | ...)
Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C13H15Br2N5O2/c1-2-19-9-7-8(14)10(15)12(20(21)22)11(9)17-13(19)18-5-3-16-4-6-18/h7,16H,2-6H2,1H3
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n/an/a 2.04E+4n/an/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
The hERG (human ether-A-go-go-related gene) channel corresponds to an important anti-target for potential new drugs since its inhibition may lead to ...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM319752
PNG
(US10174013, Example 1A | US10174013, Example 1X | ...)
Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C13H15Br2N5O2/c1-2-19-9-7-8(14)10(15)12(20(21)22)11(9)17-13(19)18-5-3-16-4-6-18/h7,16H,2-6H2,1H3
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n/an/an/a 74n/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
Selected compounds were also tested for their binding properties against FLT3 kinase mutants using suitable in vitro assays (performed according to s...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM319787
PNG
(5,6-dibromo-4-nitro-2-(piperazin-1-yl)-1-(propan-2...)
Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C14H17Br2N5O2/c1-8(2)20-10-7-9(15)11(16)13(21(22)23)12(10)18-14(20)19-5-3-17-4-6-19/h7-8,17H,3-6H2,1-2H3
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n/an/an/a 130n/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
Selected compounds were also tested for their binding properties against FLT3 kinase mutants using suitable in vitro assays (performed according to s...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
FLT3(D835Y)


(Homo sapiens (human))
BDBM319752
PNG
(US10174013, Example 1A | US10174013, Example 1X | ...)
Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C13H15Br2N5O2/c1-2-19-9-7-8(14)10(15)12(20(21)22)11(9)17-13(19)18-5-3-16-4-6-18/h7,16H,2-6H2,1H3
PDB

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n/an/an/a 46n/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
Selected compounds were also tested for their binding properties against FLT3 kinase mutants using suitable in vitro assays (performed according to s...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
FLT3(D835H)


(Homo sapiens (human))
BDBM319787
PNG
(5,6-dibromo-4-nitro-2-(piperazin-1-yl)-1-(propan-2...)
Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C14H17Br2N5O2/c1-8(2)20-10-7-9(15)11(16)13(21(22)23)12(10)18-14(20)19-5-3-17-4-6-19/h7-8,17H,3-6H2,1-2H3
PDB

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n/an/an/a 28n/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
Selected compounds were also tested for their binding properties against FLT3 kinase mutants using suitable in vitro assays (performed according to s...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
FLT3(D835Y)


(Homo sapiens (human))
BDBM319787
PNG
(5,6-dibromo-4-nitro-2-(piperazin-1-yl)-1-(propan-2...)
Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C14H17Br2N5O2/c1-8(2)20-10-7-9(15)11(16)13(21(22)23)12(10)18-14(20)19-5-3-17-4-6-19/h7-8,17H,3-6H2,1-2H3
PDB

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n/an/an/a 15n/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
Selected compounds were also tested for their binding properties against FLT3 kinase mutants using suitable in vitro assays (performed according to s...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM319752
PNG
(US10174013, Example 1A | US10174013, Example 1X | ...)
Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C13H15Br2N5O2/c1-2-19-9-7-8(14)10(15)12(20(21)22)11(9)17-13(19)18-5-3-16-4-6-18/h7,16H,2-6H2,1H3
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n/an/an/a 400n/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
Selected compounds were also tested for their binding properties against FLT3 kinase mutants using suitable in vitro assays (performed according to s...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
FLT3(D835H)


(Homo sapiens (human))
BDBM319752
PNG
(US10174013, Example 1A | US10174013, Example 1X | ...)
Show SMILES CCn1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C13H15Br2N5O2/c1-2-19-9-7-8(14)10(15)12(20(21)22)11(9)17-13(19)18-5-3-16-4-6-18/h7,16H,2-6H2,1H3
PDB

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n/an/an/a 120n/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
Selected compounds were also tested for their binding properties against FLT3 kinase mutants using suitable in vitro assays (performed according to s...


US Patent US10174013 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM319787
PNG
(5,6-dibromo-4-nitro-2-(piperazin-1-yl)-1-(propan-2...)
Show SMILES CC(C)n1c(nc2c(c(Br)c(Br)cc12)[N+]([O-])=O)N1CCNCC1
Show InChI InChI=1S/C14H17Br2N5O2/c1-8(2)20-10-7-9(15)11(16)13(21(22)23)12(10)18-14(20)19-5-3-17-4-6-19/h7-8,17H,3-6H2,1-2H3
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n/an/an/a 18n/an/an/an/an/a



SELVITA S.A.

US Patent


Assay Description
Selected compounds were also tested for their binding properties against FLT3 kinase mutants using suitable in vitro assays (performed according to s...


US Patent US10174013 (2019)

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