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Patent code US10799494

Compile Data Set for Download or QSAR
Found 22 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466327
PNG
(US10799494, Compound CK-2-88)
Show SMILES Cc1c([nH]c2ccccc2c1=O)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C23H19NO/c1-16-22(24-21-10-6-5-9-20(21)23(16)25)19-13-11-18(12-14-19)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,25)
UniProtKB/TrEMBL

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US Patent
n/an/a 20n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466330
PNG
(US10799494, Compound PG-203)
Show SMILES Cc1[nH]c2ccccc2c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H16F3NO3/c1-14-21(22(28)19-4-2-3-5-20(19)27-14)15-6-8-16(9-7-15)29-17-10-12-18(13-11-17)30-23(24,25)26/h2-13H,1H3,(H,27,28)
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US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466340
PNG
(US10799494, Example WDH-2G-6)
Show SMILES CC(C)c1c([nH]c2ccccc2c1=O)-c1cnn(Cc2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C23H20F3N3O2/c1-14(2)20-21(28-19-6-4-3-5-18(19)22(20)30)16-11-27-29(13-16)12-15-7-9-17(10-8-15)31-23(24,25)26/h3-11,13-14H,12H2,1-2H3,(H,28,30)
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US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466333
PNG
(US10799494, Compound LT-9)
Show SMILES Cc1c([nH]c2ccccc2c1=O)-c1ccc(Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H18FNO/c1-15-22(25-21-5-3-2-4-20(21)23(15)26)18-10-6-16(7-11-18)14-17-8-12-19(24)13-9-17/h2-13H,14H2,1H3,(H,25,26)
UniProtKB/TrEMBL

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US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466310
PNG
(US10799494, Compound CK-3-22)
Show SMILES Cc1c([nH]c2ccccc2c1=O)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)nc1
Show InChI InChI=1S/C22H15F3N2O3/c1-13-20(27-18-5-3-2-4-17(18)21(13)28)14-6-11-19(26-12-14)29-15-7-9-16(10-8-15)30-22(23,24)25/h2-12H,1H3,(H,27,28)
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US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466334
PNG
(US10799494, Compound GN-1710)
Show SMILES CCOC(=O)c1c([nH]c2ccccc2c1=O)-c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H20F3NO4/c1-2-33-25(32)22-23(30-21-6-4-3-5-20(21)24(22)31)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)34-26(27,28)29/h3-14H,2,15H2,1H3,(H,30,31)
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US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466326
PNG
(US10799494, Compound MTD-403)
Show SMILES Cc1c([nH]c2cc(F)cc(F)c2c1=O)-c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C21H20F2N2O/c1-13-20(24-18-12-15(22)11-17(23)19(18)21(13)26)14-5-7-16(8-6-14)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10H2,1H3,(H,24,26)
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n/an/a 270n/an/an/an/an/an/a



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US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466336
PNG
(US10799494, Compound SL-2-25)
Show SMILES Cc1c([nH]c2ccccc2c1=O)-c1ccc(nc1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H15F3N2O2/c1-13-20(27-19-5-3-2-4-17(19)21(13)28)15-8-11-18(26-12-15)14-6-9-16(10-7-14)29-22(23,24)25/h2-12H,1H3,(H,27,28)
UniProtKB/TrEMBL

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US Patent
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US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466332
PNG
(US10799494, Compound RKA-73)
Show SMILES On1c(cc(=O)c2ccccc12)-c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H16F3NO3/c24-23(25,26)30-18-11-7-16(8-12-18)13-15-5-9-17(10-6-15)21-14-22(28)19-3-1-2-4-20(19)27(21)29/h1-12,14,29H,13H2
UniProtKB/TrEMBL

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US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466341
PNG
(US10799494, Example WDH-2R-4)
Show SMILES CC(C)c1c([nH]c2ccccc2c1=O)-c1cnn(CCc2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C24H22F3N3O2/c1-15(2)21-22(29-20-6-4-3-5-19(20)23(21)31)17-13-28-30(14-17)12-11-16-7-9-18(10-8-16)32-24(25,26)27/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)
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US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466316
PNG
(US10799494, Compound RKA-307)
Show SMILES Cc1c([nH]c2ccccc2c1=O)-c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C21H22N2O/c1-15-20(22-19-8-4-3-7-18(19)21(15)24)16-9-11-17(12-10-16)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,24)
UniProtKB/TrEMBL

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US Patent
n/an/a 440n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466331
PNG
(US10799494, Compound RKA-70)
Show SMILES FC(F)(F)Oc1ccc(Cc2ccc(cc2)-c2cc(=O)c3ccccc3[nH]2)cc1
Show InChI InChI=1S/C23H16F3NO2/c24-23(25,26)29-18-11-7-16(8-12-18)13-15-5-9-17(10-6-15)21-14-22(28)19-3-1-2-4-20(19)27-21/h1-12,14H,13H2,(H,27,28)
UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 750n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466320
PNG
(US10799494, Compound RKA-310)
Show SMILES COc1ccc2c(c1)[nH]c(-c1ccc(cc1)N1CCCCC1)c(C)c2=O
Show InChI InChI=1S/C22H24N2O2/c1-15-21(23-20-14-18(26-2)10-11-19(20)22(15)25)16-6-8-17(9-7-16)24-12-4-3-5-13-24/h6-11,14H,3-5,12-13H2,1-2H3,(H,23,25)
UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466342
PNG
(US10799494, Example RKA 142)
Show SMILES Cc1c([nH]c2ccccc2c1=O)-c1ccc(nc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H15F3N2O/c1-13-20(27-19-5-3-2-4-17(19)21(13)28)15-8-11-18(26-12-15)14-6-9-16(10-7-14)22(23,24)25/h2-12H,1H3,(H,27,28)
UniProtKB/TrEMBL

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US Patent
n/an/a 2.02E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466328
PNG
(US10799494, Compound CK-3-23)
Show SMILES COc1c(C)c(nc2ccccc12)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C24H21NO/c1-17-23(25-22-11-7-6-10-21(22)24(17)26-2)20-14-12-19(13-15-20)16-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3
UniProtKB/TrEMBL

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US Patent
n/an/a 3.60E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466314
PNG
(US10799494, Compound RKA-259)
Show SMILES COc1ccc2c(c1)[nH]c(-c1ccc(Oc3ccc(OC(F)(F)F)cc3)nc1)c(C)c2=O
Show InChI InChI=1S/C23H17F3N2O4/c1-13-21(28-19-11-17(30-2)8-9-18(19)22(13)29)14-3-10-20(27-12-14)31-15-4-6-16(7-5-15)32-23(24,25)26/h3-12H,1-2H3,(H,28,29)
UniProtKB/TrEMBL

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PC sid
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US Patent
n/an/a 3.60E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466335
PNG
(US10799494, Compound PG-128)
Show SMILES Cc1c([nH]c2ccccc2c1=O)-c1ccc(nc1)-c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C21H14F3N3O/c1-12-19(27-17-5-3-2-4-15(17)20(12)28)14-6-8-16(25-11-14)13-7-9-18(26-10-13)21(22,23)24/h2-11H,1H3,(H,27,28)
UniProtKB/TrEMBL

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US Patent
n/an/a 4.47E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466339
PNG
(US10799494, Compound WDH-2A-9)
Show SMILES Cc1c([nH]c2ccccc2c1=O)-c1cnn(Cc2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C21H16F3N3O2/c1-13-19(26-18-5-3-2-4-17(18)20(13)28)15-10-25-27(12-15)11-14-6-8-16(9-7-14)29-21(22,23)24/h2-10,12H,11H2,1H3,(H,26,28)
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.50E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466337
PNG
(US10799494, Compound WDH-1U-10)
Show SMILES CCOC(=O)c1c([nH]c2ccccc2c1=O)-c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18ClNO3/c1-2-29-24(28)21-22(26-20-6-4-3-5-19(20)23(21)27)17-9-7-15(8-10-17)16-11-13-18(25)14-12-16/h3-14H,2H2,1H3,(H,26,27)
UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 6.50E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466329
PNG
(US10799494, Compound CK-2-63)
Show SMILES Cc1c([nH]c2ccccc2c1=O)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H16F3NO3/c1-14-21(27-20-5-3-2-4-19(20)22(14)28)15-6-8-16(9-7-15)29-17-10-12-18(13-11-17)30-23(24,25)26/h2-13H,1H3,(H,27,28)
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6.50E+3n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466311
PNG
(US10799494, Compound CK-3-14)
Show SMILES Cc1c([nH]c2ccccc2c1=O)-c1ccc(Oc2ccc(F)cc2)nc1
Show InChI InChI=1S/C21H15FN2O2/c1-13-20(24-18-5-3-2-4-17(18)21(13)25)14-6-11-19(23-12-14)26-16-9-7-15(22)8-10-16/h2-12H,1H3,(H,24,25)
UniProtKB/TrEMBL

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



TBA

US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

More data for this
Ligand-Target Pair
Probable integral membrane cytochrome D ubiquinol oxidase (Subunit II) CydB (Cytochrome BD-I oxidase subunit II)


()
BDBM466338
PNG
(US10799494, Compound WDH-1W-5)
Show SMILES FC(F)(F)Oc1ccc(Cn2cc(cn2)-c2cc(=O)c3ccccc3[nH]2)cc1
Show InChI InChI=1S/C20H14F3N3O2/c21-20(22,23)28-15-7-5-13(6-8-15)11-26-12-14(10-24-26)18-9-19(27)16-3-1-2-4-17(16)25-18/h1-10,12H,11H2,(H,25,27)
UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 1.58E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The Mtb cytochrome bd inhibition assay described in accompanying Example section, or elsewhere in the literature, may be used to measure the pharmaco...


US Patent US10799494 (2020)

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