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Patent code US10208000

Compile Data Set for Download or QSAR
Found 19 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
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349604
PNG
(US10208000, Compound 46)
Show SMILES CN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C19H13N3O4S/c1-22(14-7-6-12-4-2-3-5-13(12)10-14)27(25,26)15-8-9-16-17(11-15)21-19(24)18(23)20-16/h2-11H,1H3
PDB

UniProtKB/SwissProt

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PC sid
PDB
UniChem
PDB
US Patent
n/an/a 0.240n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349600
PNG
(US10208000, Compound 42)
Show SMILES CCc1cccc(c1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C17H15N3O4S/c1-3-11-5-4-6-12(9-11)20(2)25(23,24)13-7-8-14-15(10-13)19-17(22)16(21)18-14/h4-10H,3H2,1-2H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 27n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349596
PNG
(US10208000, Compound 38)
Show SMILES CN(c1cccc(Br)c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C15H10BrN3O4S/c1-19(10-4-2-3-9(16)7-10)24(22,23)11-5-6-12-13(8-11)18-15(21)14(20)17-12/h2-8H,1H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 56n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349587
PNG
(US10208000, Compound 29)
Show SMILES CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C15H10BrN3O4S/c1-19(10-4-2-9(16)3-5-10)24(22,23)11-6-7-12-13(8-11)18-15(21)14(20)17-12/h2-8H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349592
PNG
(US10208000, Compound 34)
Show SMILES CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C15H10ClN3O4S/c1-19(10-4-2-9(16)3-5-10)24(22,23)11-6-7-12-13(8-11)18-15(21)14(20)17-12/h2-8H,1H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 100n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349601
PNG
(US10208000, Compound 43)
Show SMILES CC(C)c1cccc(c1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C18H17N3O4S/c1-11(2)12-5-4-6-13(9-12)21(3)26(24,25)14-7-8-15-16(10-14)20-18(23)17(22)19-15/h4-11H,1-3H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 230n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349593
PNG
(US10208000, Compound 35)
Show SMILES CC(C)c1ccc(cc1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C18H17N3O4S/c1-11(2)12-4-6-13(7-5-12)21(3)26(24,25)14-8-9-15-16(10-14)20-18(23)17(22)19-15/h4-11H,1-3H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 250n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349605
PNG
(US10208000, Compound 47)
Show SMILES COc1cc(cc2ccccc12)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C20H15N3O5S/c1-23(13-9-12-5-3-4-6-15(12)18(10-13)28-2)29(26,27)14-7-8-16-17(11-14)22-20(25)19(24)21-16/h3-11H,1-2H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349599
PNG
(US10208000, Compound 41)
Show SMILES CN(c1cccc(C)c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C16H13N3O4S/c1-10-4-3-5-11(8-10)19(2)24(22,23)12-6-7-13-14(9-12)18-16(21)15(20)17-13/h3-9H,1-2H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 370n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349602
PNG
(US10208000, Compound 44)
Show SMILES CCCCc1cccc(c1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C19H19N3O4S/c1-3-4-6-13-7-5-8-14(11-13)22(2)27(25,26)15-9-10-16-17(12-15)21-19(24)18(23)20-16/h5,7-12H,3-4,6H2,1-2H3
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 700n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349595
PNG
(US10208000, Compound 37)
Show SMILES CN(c1cccc(F)c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C15H10FN3O4S/c1-19(10-4-2-3-9(16)7-10)24(22,23)11-5-6-12-13(8-11)18-15(21)14(20)17-12/h2-8H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349591
PNG
(US10208000, Compound 33)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C15H11N3O4S/c1-18(10-5-3-2-4-6-10)23(21,22)11-7-8-12-13(9-11)17-15(20)14(19)16-12/h2-9H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.80E+3n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349597
PNG
(US10208000, Compound 39)
Show SMILES COc1cccc(c1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C16H13N3O5S/c1-19(10-4-3-5-11(8-10)24-2)25(22,23)12-6-7-13-14(9-12)18-16(21)15(20)17-13/h3-9H,1-2H3
PDB

UniProtKB/SwissProt

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UniChem
PDB
US Patent
n/an/a 5.80E+3n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349588
PNG
(US10208000, Compound 30)
Show SMILES Brc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1
Show InChI InChI=1S/C14H8BrN3O4S/c15-8-1-3-9(4-2-8)18-23(21,22)10-5-6-11-12(7-10)17-14(20)13(19)16-11/h1-7,18H
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 6.20E+3n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349598
PNG
(US10208000, Compound 40)
Show SMILES COc1cc(OC)cc(c1)N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C17H15N3O6S/c1-20(10-6-11(25-2)8-12(7-10)26-3)27(23,24)13-4-5-14-15(9-13)19-17(22)16(21)18-14/h4-9H,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.40E+3n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349590
PNG
(US10208000, Compound 32)
Show SMILES CC(C)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1
Show InChI InChI=1S/C17H15N3O4S/c1-10(2)11-3-5-12(6-4-11)20-25(23,24)13-7-8-14-15(9-13)19-17(22)16(21)18-14/h3-10,20H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.06E+4n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349603
PNG
(US10208000, Compound 45)
Show SMILES CN(c1cccc(c1)C(C)(C)C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C19H19N3O4S/c1-19(2,3)12-6-5-7-13(10-12)22(4)27(25,26)14-8-9-15-16(11-14)21-18(24)17(23)20-15/h5-11H,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70E+4n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349594
PNG
(US10208000, Compound 36)
Show SMILES COc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
Show InChI InChI=1S/C16H13N3O5S/c1-19(13-5-3-4-6-14(13)24-2)25(22,23)10-7-8-11-12(9-10)18-16(21)15(20)17-11/h3-9H,1-2H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+5n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
N-acetyltransferase Eis


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM349589
PNG
(US10208000, Compound 31)
Show SMILES O=c1[nH]c2ccc(cc2[nH]c1=O)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C14H9N3O4S/c18-13-14(19)16-12-8-10(6-7-11(12)15-13)22(20,21)17-9-4-2-1-3-5-9/h1-8,17H
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>2.00E+5n/an/an/an/an/an/a



University of Kentucky Research Foundation

US Patent


Assay Description
To investigate the potential of these compounds as Eis inhibitors for use in combination with KAN, their biochemical (IC50 values against purified Ei...


US Patent US10208000 (2019)


BindingDB Entry DOI: 10.7270/Q28S4S2Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%