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Patent code US9598407

Compile Data Set for Download or QSAR
Found 41 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
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302048
PNG
(US9598407, Compound 4)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C22H23N3O2/c26-20-8-7-19-14-16(15-23-22(19)24-20)6-9-21(27)25-12-10-18(11-13-25)17-4-2-1-3-5-17/h1-6,9,14-15,18H,7-8,10-13H2,(H,23,24,26)/b9-6+
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US Patent
n/an/a 802n/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302046
PNG
(US9598407, Compound 2)
Show SMILES COc1ccccc1C1=CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C23H23N3O3/c1-29-20-5-3-2-4-19(20)17-10-12-26(13-11-17)22(28)9-6-16-14-18-7-8-21(27)25-23(18)24-15-16/h2-6,9-10,14-15H,7-8,11-13H2,1H3,(H,24,25,27)/b9-6+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302056
PNG
(US9598407, Compound 12)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H25N3O2/c27-21-8-7-20-15-19(16-24-23(20)25-21)6-9-22(28)26-12-10-18(11-13-26)14-17-4-2-1-3-5-17/h1-6,9,15-16,18H,7-8,10-14H2,(H,24,25,27)/b9-6+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302049
PNG
(US9598407, Compound 5)
Show SMILES Oc1cccc(c1)C1CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H23N3O3/c26-19-3-1-2-17(13-19)16-8-10-25(11-9-16)21(28)7-4-15-12-18-5-6-20(27)24-22(18)23-14-15/h1-4,7,12-14,16,26H,5-6,8-11H2,(H,23,24,27)/b7-4+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302053
PNG
(US9598407, Compound 9)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(=CC1)c1ccco1
Show InChI InChI=1S/C20H19N3O3/c24-18-5-4-16-12-14(13-21-20(16)22-18)3-6-19(25)23-9-7-15(8-10-23)17-2-1-11-26-17/h1-3,6-7,11-13H,4-5,8-10H2,(H,21,22,24)/b6-3+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302051
PNG
(US9598407, Compound 7)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C22H21N3O2/c26-20-8-7-19-14-16(15-23-22(19)24-20)6-9-21(27)25-12-10-18(11-13-25)17-4-2-1-3-5-17/h1-6,9-10,14-15H,7-8,11-13H2,(H,23,24,26)/b9-6+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302077
PNG
(US9598407, Compound 34)
Show SMILES Fc1ccc(OCC2CCN(CC2)C(=O)\C=C\c2cnc3NC(=O)CCc3c2)cc1
Show InChI InChI=1S/C23H24FN3O3/c24-19-3-5-20(6-4-19)30-15-16-9-11-27(12-10-16)22(29)8-1-17-13-18-2-7-21(28)26-23(18)25-14-17/h1,3-6,8,13-14,16H,2,7,9-12,15H2,(H,25,26,28)/b8-1+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302078
PNG
(US9598407, Compound 35)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(Cc2ccccn2)CC1
Show InChI InChI=1S/C22H24N4O2/c27-20-6-5-18-13-17(15-24-22(18)25-20)4-7-21(28)26-11-8-16(9-12-26)14-19-3-1-2-10-23-19/h1-4,7,10,13,15-16H,5-6,8-9,11-12,14H2,(H,24,25,27)/b7-4+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302052
PNG
(US9598407, Compound 8)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(=CC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C23H21N3O4/c27-21-5-3-18-11-15(13-24-23(18)25-21)1-6-22(28)26-9-7-16(8-10-26)17-2-4-19-20(12-17)30-14-29-19/h1-2,4,6-7,11-13H,3,5,8-10,14H2,(H,24,25,27)/b6-1+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302080
PNG
(US9598407, Compound 37)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(Cc2cccs2)CC1
Show InChI InChI=1S/C21H23N3O2S/c25-19-5-4-17-12-16(14-22-21(17)23-19)3-6-20(26)24-9-7-15(8-10-24)13-18-2-1-11-27-18/h1-3,6,11-12,14-15H,4-5,7-10,13H2,(H,22,23,25)/b6-3+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302057
PNG
(US9598407, Compound 13)
Show SMILES COc1ccccc1C1CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C23H25N3O3/c1-29-20-5-3-2-4-19(20)17-10-12-26(13-11-17)22(28)9-6-16-14-18-7-8-21(27)25-23(18)24-15-16/h2-6,9,14-15,17H,7-8,10-13H2,1H3,(H,24,25,27)/b9-6+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302054
PNG
(US9598407, Compound 10)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(=CC1)c1ccoc1
Show InChI InChI=1S/C20H19N3O3/c24-18-3-2-16-11-14(12-21-20(16)22-18)1-4-19(25)23-8-5-15(6-9-23)17-7-10-26-13-17/h1,4-5,7,10-13H,2-3,6,8-9H2,(H,21,22,24)/b4-1+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302047
PNG
(US9598407, Compound 3)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H19N3O2/c24-18-7-6-16-11-14(12-21-20(16)22-18)5-8-19(25)23-10-9-15-3-1-2-4-17(15)13-23/h1-5,8,11-12H,6-7,9-10,13H2,(H,21,22,24)/b8-5+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302060
PNG
(US9598407, Compound 16)
Show SMILES Clc1ccccc1C1=CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H20ClN3O2/c23-19-4-2-1-3-18(19)16-9-11-26(12-10-16)21(28)8-5-15-13-17-6-7-20(27)25-22(17)24-14-15/h1-5,8-9,13-14H,6-7,10-12H2,(H,24,25,27)/b8-5+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302071
PNG
(US9598407, Compound 27)
Show SMILES CC1CN(CC=C1c1ccccc1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C23H23N3O2/c1-16-15-26(12-11-20(16)18-5-3-2-4-6-18)22(28)10-7-17-13-19-8-9-21(27)25-23(19)24-14-17/h2-7,10-11,13-14,16H,8-9,12,15H2,1H3,(H,24,25,27)/b10-7+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302079
PNG
(US9598407, Compound 36)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(CC2CCCS2)CC1
Show InChI InChI=1S/C21H27N3O2S/c25-19-5-4-17-12-16(14-22-21(17)23-19)3-6-20(26)24-9-7-15(8-10-24)13-18-2-1-11-27-18/h3,6,12,14-15,18H,1-2,4-5,7-11,13H2,(H,22,23,25)/b6-3+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302075
PNG
(US9598407, Compound 31)
Show SMILES Fc1ccc2c(CC3CCN(CC3)C(=O)\C=C\c3cnc4NC(=O)CCc4c3)coc2c1
Show InChI InChI=1S/C25H24FN3O3/c26-20-3-4-21-19(15-32-22(21)13-20)11-16-7-9-29(10-8-16)24(31)6-1-17-12-18-2-5-23(30)28-25(18)27-14-17/h1,3-4,6,12-16H,2,5,7-11H2,(H,27,28,30)/b6-1+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302062
PNG
(US9598407, Compound 18)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(=CC1)c1cccnc1
Show InChI InChI=1S/C21H20N4O2/c26-19-5-4-17-12-15(13-23-21(17)24-19)3-6-20(27)25-10-7-16(8-11-25)18-2-1-9-22-14-18/h1-3,6-7,9,12-14H,4-5,8,10-11H2,(H,23,24,26)/b6-3+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302055
PNG
(US9598407, Compound 11)
Show SMILES OC1(CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClN3O3/c23-18-5-3-17(4-6-18)22(29)9-11-26(12-10-22)20(28)8-1-15-13-16-2-7-19(27)25-21(16)24-14-15/h1,3-6,8,13-14,29H,2,7,9-12H2,(H,24,25,27)/b8-1+
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n/an/a 1.94E+3n/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302064
PNG
(US9598407, Compound 20)
Show SMILES COc1ccncc1C1=CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C22H22N4O3/c1-29-19-6-9-23-14-18(19)16-7-10-26(11-8-16)21(28)5-2-15-12-17-3-4-20(27)25-22(17)24-13-15/h2,5-7,9,12-14H,3-4,8,10-11H2,1H3,(H,24,25,27)/b5-2+
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US Patent
n/an/a 1.99E+3n/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302065
PNG
(US9598407, Compound 21)
Show SMILES COc1ccccc1C1=CCCN(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C23H23N3O3/c1-29-20-7-3-2-6-19(20)18-5-4-12-26(15-18)22(28)11-8-16-13-17-9-10-21(27)25-23(17)24-14-16/h2-3,5-8,11,13-14H,4,9-10,12,15H2,1H3,(H,24,25,27)/b11-8+
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US Patent
n/an/a 2.05E+3n/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302067
PNG
(US9598407, Compound 23)
Show SMILES COc1ccc(cc1)C1=CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C23H23N3O3/c1-29-20-6-3-17(4-7-20)18-10-12-26(13-11-18)22(28)9-2-16-14-19-5-8-21(27)25-23(19)24-15-16/h2-4,6-7,9-10,14-15H,5,8,11-13H2,1H3,(H,24,25,27)/b9-2+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302066
PNG
(US9598407, Compound 22)
Show SMILES COc1cccc(c1)C1=CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C23H23N3O3/c1-29-20-4-2-3-18(14-20)17-9-11-26(12-10-17)22(28)8-5-16-13-19-6-7-21(27)25-23(19)24-15-16/h2-5,8-9,13-15H,6-7,10-12H2,1H3,(H,24,25,27)/b8-5+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302073
PNG
(US9598407, Compound 29)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(CCOc2ccccc2)CC1
Show InChI InChI=1S/C24H27N3O3/c28-22-8-7-20-16-19(17-25-24(20)26-22)6-9-23(29)27-13-10-18(11-14-27)12-15-30-21-4-2-1-3-5-21/h1-6,9,16-18H,7-8,10-15H2,(H,25,26,28)/b9-6+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302072
PNG
(US9598407, Compound 28)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(CC1)Oc1ccccc1
Show InChI InChI=1S/C22H23N3O3/c26-20-8-7-17-14-16(15-23-22(17)24-20)6-9-21(27)25-12-10-19(11-13-25)28-18-4-2-1-3-5-18/h1-6,9,14-15,19H,7-8,10-13H2,(H,23,24,26)/b9-6+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302058
PNG
(US9598407, Compound 14)
Show SMILES COc1ccccc1CC1=CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C24H25N3O3/c1-30-21-5-3-2-4-19(21)14-17-10-12-27(13-11-17)23(29)9-6-18-15-20-7-8-22(28)26-24(20)25-16-18/h2-6,9-10,15-16H,7-8,11-14H2,1H3,(H,25,26,28)/b9-6+
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n/an/a 2.62E+3n/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302063
PNG
(US9598407, Compound 19)
Show SMILES FC(F)(F)c1cccc(c1)C1=CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C23H20F3N3O2/c24-23(25,26)19-3-1-2-17(13-19)16-8-10-29(11-9-16)21(31)7-4-15-12-18-5-6-20(30)28-22(18)27-14-15/h1-4,7-8,12-14H,5-6,9-11H2,(H,27,28,30)/b7-4+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302074
PNG
(US9598407, Compound 30)
Show SMILES Fc1ccc(OCCC2CCN(CC2)C(=O)\C=C\c2cnc3NC(=O)CCc3c2)cc1
Show InChI InChI=1S/C24H26FN3O3/c25-20-3-5-21(6-4-20)31-14-11-17-9-12-28(13-10-17)23(30)8-1-18-15-19-2-7-22(29)27-24(19)26-16-18/h1,3-6,8,15-17H,2,7,9-14H2,(H,26,27,29)/b8-1+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302083
PNG
(US9598407, Compound 40)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(Cn2cncn2)CC1
Show InChI InChI=1S/C19H22N6O2/c26-17-3-2-16-9-15(10-21-19(16)23-17)1-4-18(27)24-7-5-14(6-8-24)11-25-13-20-12-22-25/h1,4,9-10,12-14H,2-3,5-8,11H2,(H,21,23,26)/b4-1+
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US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302076
PNG
(US9598407, Compound 32)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(Cc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H24N4O2S/c29-21-7-6-18-13-17(15-25-24(18)27-21)5-8-23(30)28-11-9-16(10-12-28)14-22-26-19-3-1-2-4-20(19)31-22/h1-5,8,13,15-16H,6-7,9-12,14H2,(H,25,27,29)/b8-5+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302069
PNG
(US9598407, Compound 25)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H22N4O2/c26-19-8-7-17-14-16(15-22-21(17)23-19)6-9-20(27)25-12-10-24(11-13-25)18-4-2-1-3-5-18/h1-6,9,14-15H,7-8,10-13H2,(H,22,23,26)/b9-6+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302050
PNG
(US9598407, Compound 6)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H23N3O3/c27-20-8-7-19-14-16(15-24-23(19)25-20)6-9-21(28)26-12-10-18(11-13-26)22(29)17-4-2-1-3-5-17/h1-6,9,14-15,18H,7-8,10-13H2,(H,24,25,27)/b9-6+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302061
PNG
(US9598407, Compound 17)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(=CC1)c1cc2ccccc2o1
Show InChI InChI=1S/C24H21N3O3/c28-22-7-6-19-13-16(15-25-24(19)26-22)5-8-23(29)27-11-9-17(10-12-27)21-14-18-3-1-2-4-20(18)30-21/h1-5,8-9,13-15H,6-7,10-12H2,(H,25,26,28)/b8-5+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302082
PNG
(US9598407, Compound 39)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(Cn2ccc3ccccc23)CC1
Show InChI InChI=1S/C25H26N4O2/c30-23-7-6-21-15-19(16-26-25(21)27-23)5-8-24(31)28-12-9-18(10-13-28)17-29-14-11-20-3-1-2-4-22(20)29/h1-5,8,11,14-16,18H,6-7,9-10,12-13,17H2,(H,26,27,30)/b8-5+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302084
PNG
(US9598407, Compound 41)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(Cc2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C26H26N4O2/c31-24-9-7-21-15-19(17-27-26(21)29-24)5-10-25(32)30-13-11-18(12-14-30)16-22-8-6-20-3-1-2-4-23(20)28-22/h1-6,8,10,15,17-18H,7,9,11-14,16H2,(H,27,29,31)/b10-5+
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n/an/a 7.94E+3n/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302045
PNG
(US9598407, Compound 1)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCCC(C1)Oc1ccccc1
Show InChI InChI=1S/C22H23N3O3/c26-20-10-9-17-13-16(14-23-22(17)24-20)8-11-21(27)25-12-4-7-19(15-25)28-18-5-2-1-3-6-18/h1-3,5-6,8,11,13-14,19H,4,7,9-10,12,15H2,(H,23,24,26)/b11-8+
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Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM133659
PNG
(US8846711, 3 | US9051321, 3 | US9598407, Compound ...)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCCCC1
Show InChI InChI=1S/C16H19N3O2/c20-14-6-5-13-10-12(11-17-16(13)18-14)4-7-15(21)19-8-2-1-3-9-19/h4,7,10-11H,1-3,5-6,8-9H2,(H,17,18,20)/b7-4+
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US Patent
n/an/a 9.56E+3n/an/an/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302059
PNG
(US9598407, Compound 15)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC=CC1
Show InChI InChI=1S/C16H17N3O2/c20-14-6-5-13-10-12(11-17-16(13)18-14)4-7-15(21)19-8-2-1-3-9-19/h1-2,4,7,10-11H,3,5-6,8-9H2,(H,17,18,20)/b7-4+
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US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302068
PNG
(US9598407, Compound 24)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H24N4O2/c27-20-8-7-19-14-18(15-23-22(19)24-20)6-9-21(28)26-12-10-25(11-13-26)16-17-4-2-1-3-5-17/h1-6,9,14-15H,7-8,10-13,16H2,(H,23,24,27)/b9-6+
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US Patent


Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302081
PNG
(US9598407, Compound 38)
Show SMILES O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CCC(Cn2cnnc2)CC1
Show InChI InChI=1S/C19H22N6O2/c26-17-3-2-16-9-15(10-20-19(16)23-17)1-4-18(27)25-7-5-14(6-8-25)11-24-12-21-22-13-24/h1,4,9-10,12-14H,2-3,5-8,11H2,(H,20,23,26)/b4-1+
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Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

More data for this
Ligand-Target Pair
NADPH-dependent enoyl-ACP reductase (FabI)


(Staphylococcus aureus)
BDBM302085
PNG
(US9598407, Compound 42)
Show SMILES Cc1ccc(-c2ccccc2)n1CC1CCN(CC1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1
Show InChI InChI=1S/C28H30N4O2/c1-20-7-10-25(23-5-3-2-4-6-23)32(20)19-21-13-15-31(16-14-21)27(34)12-8-22-17-24-9-11-26(33)30-28(24)29-18-22/h2-8,10,12,17-18,21H,9,11,13-16,19H2,1H3,(H,29,30,33)/b12-8+
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n/an/a 2.23E+4n/an/an/an/an/an/a



Janssen Sciences Ireland UC

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Assay Description
FabI enzyme inhibition assays were carried out in half-area, 384-well microtitre plates. Compounds were evaluated in 40-μl assay mixtures contai...


US Patent US9598407 (2017)

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