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Patent code US10131673

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
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301476
PNG
(US10131673, Compound P3)
Show SMILES Cc1ccc(NS(C)(=O)=O)c(c1)C(=O)N1CCCC[C@H]1c1cc2nc3CCCCc3c(N3CCOCC3)n2n1
Show InChI InChI=1S/C28H36N6O4S/c1-19-10-11-23(31-39(2,36)37)21(17-19)28(35)33-12-6-5-9-25(33)24-18-26-29-22-8-4-3-7-20(22)27(34(26)30-24)32-13-15-38-16-14-32/h10-11,17-18,25,31H,3-9,12-16H2,1-2H3/t25-/m0/s1
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US Patent
n/an/an/an/a 0.562n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301511
PNG
(US10131673, Compound P38)
Show SMILES Cc1cccc2ncnc(N3CCCC[C@H]3c3cc4nc5CCCCc5c(C)n4n3)c12
Show InChI InChI=1S/C25H28N6/c1-16-8-7-11-20-24(16)25(27-15-26-20)30-13-6-5-12-22(30)21-14-23-28-19-10-4-3-9-18(19)17(2)31(23)29-21/h7-8,11,14-15,22H,3-6,9-10,12-13H2,1-2H3/t22-/m0/s1
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n/an/an/an/a 162n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301489
PNG
(N,N-dimethyl-2-(1-(5-methylquinazolin-4-yl)piperid...)
Show SMILES CN(C)c1c2CCCCc2nc2cc(nn12)C1CCCCN1C(=O)c1c(C)cccc1NS(C)(=O)=O
Show InChI InChI=1S/C26H34N6O3S/c1-17-10-9-13-20(29-36(4,34)35)24(17)26(33)31-15-8-7-14-22(31)21-16-23-27-19-12-6-5-11-18(19)25(30(2)3)32(23)28-21/h9-10,13,16,22,29H,5-8,11-12,14-15H2,1-4H3
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n/an/an/an/a 407n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301498
PNG
(US10131673, Compound P25)
Show SMILES Cc1ccc(NS(C)(=O)=O)c(c1)C(=O)N1CCCCC1c1cc2nc3COCc3c(N3CCOCC3)n2n1
Show InChI InChI=1S/C26H32N6O5S/c1-17-6-7-20(29-38(2,34)35)18(13-17)26(33)31-8-4-3-5-23(31)21-14-24-27-22-16-37-15-19(22)25(32(24)28-21)30-9-11-36-12-10-30/h6-7,13-14,23,29H,3-5,8-12,15-16H2,1-2H3
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n/an/an/an/a 468n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301499
PNG
(N-(2-(2-(9-(dimethylamino)-5-methyl-5,6,7,8-tetrah...)
Show SMILES CN(C)c1c2CCCN(C)c2nc2cc(nn12)C1CCCCN1C(=O)c1cc(C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C26H35N7O3S/c1-17-11-12-20(29-37(5,35)36)19(15-17)26(34)32-14-7-6-10-22(32)21-16-23-27-24-18(9-8-13-31(24)4)25(30(2)3)33(23)28-21/h11-12,15-16,22,29H,6-10,13-14H2,1-5H3
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n/an/an/an/a 1.58n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301505
PNG
(N-(5-methyl-4-(2-(9-morpholino-6,8-dihydro-5H-pyra...)
Show SMILES Cc1cccc2nc(NS(C)(=O)=O)nc(N3CCCCC3c3cc4nc5COCCc5c(N5CCOCC5)n4n3)c12
Show InChI InChI=1S/C28H34N8O4S/c1-18-6-5-7-20-25(18)26(31-28(30-20)33-41(2,37)38)35-10-4-3-8-23(35)21-16-24-29-22-17-40-13-9-19(22)27(36(24)32-21)34-11-14-39-15-12-34/h5-7,16,23H,3-4,8-15,17H2,1-2H3,(H,30,31,33)
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n/an/an/an/a 55n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301510
PNG
(US10131673, Compound P37)
Show SMILES Cc1cccc2ncnc(N3CCCC[C@@H]3c3cc4nc5CCCCc5c(C)n4n3)c12
Show InChI InChI=1S/C25H28N6/c1-16-8-7-11-20-24(16)25(27-15-26-20)30-13-6-5-12-22(30)21-14-23-28-19-10-4-3-9-18(19)17(2)31(23)29-21/h7-8,11,14-15,22H,3-6,9-10,12-13H2,1-2H3/t22-/m1/s1
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n/an/an/an/a 7.76E+3n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301513
PNG
(US10131673, Compound P40)
Show SMILES Cc1cccc2ncnc(N3CCCC[C@H]3c3cc4nc(C)c5CCCCc5n4n3)c12
Show InChI InChI=1S/C25H28N6/c1-16-8-7-10-19-24(16)25(27-15-26-19)30-13-6-5-12-22(30)20-14-23-28-17(2)18-9-3-4-11-21(18)31(23)29-20/h7-8,10,14-15,22H,3-6,9,11-13H2,1-2H3/t22-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301475
PNG
(US10131673, Compound P2)
Show SMILES Cc1ccc(NS(C)(=O)=O)c(c1)C(=O)N1CCCC[C@@H]1c1cc2nc3CCCCc3c(N3CCOCC3)n2n1
Show InChI InChI=1S/C28H36N6O4S/c1-19-10-11-23(31-39(2,36)37)21(17-19)28(35)33-12-6-5-9-25(33)24-18-26-29-22-8-4-3-7-20(22)27(34(26)30-24)32-13-15-38-16-14-32/h10-11,17-18,25,31H,3-9,12-16H2,1-2H3/t25-/m1/s1
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n/an/an/an/a 13.2n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301485
PNG
(US10131673, Compound P12)
Show SMILES COc1cccc2ncnc(N3CCCCC3c3cc4nc5CCCCc5c(N5CCOCC5)n4n3)c12
Show InChI InChI=1S/C28H33N7O2/c1-36-24-11-6-9-21-26(24)27(30-18-29-21)34-12-5-4-10-23(34)22-17-25-31-20-8-3-2-7-19(20)28(35(25)32-22)33-13-15-37-16-14-33/h6,9,11,17-18,23H,2-5,7-8,10,12-16H2,1H3
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n/an/an/an/a 75.9n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301500
PNG
(N-(2-(2-(5-(dimethylamino)-9-methyl-6,7,8,9-tetrah...)
Show SMILES CN(C)c1nc2cc(nn2c2N(C)CCCc12)C1CCCCN1C(=O)c1cc(C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C26H35N7O3S/c1-17-11-12-20(29-37(5,35)36)19(15-17)26(34)32-14-7-6-10-22(32)21-16-23-27-24(30(2)3)18-9-8-13-31(4)25(18)33(23)28-21/h11-12,15-16,22,29H,6-10,13-14H2,1-5H3
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n/an/an/an/a 2.04n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301512
PNG
(US10131673, Compound P39)
Show SMILES Cc1cccc2ncnc(N3CCCC[C@@H]3c3cc4nc(C)c5CCCCc5n4n3)c12
Show InChI InChI=1S/C25H28N6/c1-16-8-7-10-19-24(16)25(27-15-26-19)30-13-6-5-12-22(30)20-14-23-28-17(2)18-9-3-4-11-21(18)31(23)29-20/h7-8,10,14-15,22H,3-6,9,11-13H2,1-2H3/t22-/m1/s1
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n/an/an/an/a 2.82E+3n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301515
PNG
(N,N,5-trimethyl-2-(1-(5-methylquinazolin-4-yl)pipe...)
Show SMILES CN(C)c1c2CCN(C)c2nc2cc(nn12)C1CCCCN1c1ncnc2cccc(C)c12
Show InChI InChI=1S/C25H30N8/c1-16-8-7-9-18-22(16)24(27-15-26-18)32-12-6-5-10-20(32)19-14-21-28-23-17(11-13-31(23)4)25(30(2)3)33(21)29-19/h7-9,14-15,20H,5-6,10-13H2,1-4H3
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n/an/an/an/a 16.6n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301479
PNG
(US10131673, Compound P6)
Show SMILES Cc1cccc2nc(Cl)nc(N3CCCCC3c3cc4nc5CCCCc5c(N5CCOCC5)n4n3)c12
Show InChI InChI=1S/C28H32ClN7O/c1-18-7-6-10-21-25(18)26(32-28(29)31-21)35-12-5-4-11-23(35)22-17-24-30-20-9-3-2-8-19(20)27(36(24)33-22)34-13-15-37-16-14-34/h6-7,10,17,23H,2-5,8-9,11-16H2,1H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301486
PNG
(US10131673, Compound P13)
Show SMILES CCc1ccc2ncnc(N3CCCCC3c3cc4nc5CCCCc5c(N5CCOCC5)n4n3)c2c1C
Show InChI InChI=1S/C30H37N7O/c1-3-21-11-12-24-28(20(21)2)29(32-19-31-24)36-13-7-6-10-26(36)25-18-27-33-23-9-5-4-8-22(23)30(37(27)34-25)35-14-16-38-17-15-35/h11-12,18-19,26H,3-10,13-17H2,1-2H3
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n/an/an/an/a 724n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301492
PNG
(N-(2-(2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]...)
Show SMILES Cc1ccc(NS(C)(=O)=O)c(c1)C(=O)N1CCCCC1c1cc2nc3CCCCc3c(N)n2n1
Show InChI InChI=1S/C24H30N6O3S/c1-15-10-11-19(28-34(2,32)33)17(13-15)24(31)29-12-6-5-9-21(29)20-14-22-26-18-8-4-3-7-16(18)23(25)30(22)27-20/h10-11,13-14,21,28H,3-9,12,25H2,1-2H3
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n/an/an/an/a 19.5n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301478
PNG
(US10131673, Compound P5)
Show SMILES Cc1cccc2ncnc(N3CCCCC3c3cc4nc5CCCCc5c(N5CCOCC5)n4n3)c12
Show InChI InChI=1S/C28H33N7O/c1-19-7-6-10-22-26(19)27(30-18-29-22)34-12-5-4-11-24(34)23-17-25-31-21-9-3-2-8-20(21)28(35(25)32-23)33-13-15-36-16-14-33/h6-7,10,17-18,24H,2-5,8-9,11-16H2,1H3
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n/an/an/an/a 275n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301482
PNG
(US10131673, Compound P9)
Show SMILES Cc1ccc2nc(NS(C)(=O)=O)nc(N3CCCCC3c3cc4nc5CCCCc5c(N5CCOCC5)n4n3)c2c1
Show InChI InChI=1S/C29H36N8O3S/c1-19-10-11-23-21(17-19)27(32-29(31-23)34-41(2,38)39)36-12-6-5-9-25(36)24-18-26-30-22-8-4-3-7-20(22)28(37(26)33-24)35-13-15-40-16-14-35/h10-11,17-18,25H,3-9,12-16H2,1-2H3,(H,31,32,34)
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n/an/an/an/a 13.5n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301491
PNG
(2-(1-(5-methylquinazolin-4-yl)piperidin-2-yl)-5,6,...)
Show SMILES Cc1cccc2ncnc(N3CCCCC3c3cc4nc5CCCCc5cn4n3)c12
Show InChI InChI=1S/C24H26N6/c1-16-7-6-10-19-23(16)24(26-15-25-19)29-12-5-4-11-21(29)20-13-22-27-18-9-3-2-8-17(18)14-30(22)28-20/h6-7,10,13-15,21H,2-5,8-9,11-12H2,1H3
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n/an/an/an/a 3.89E+3n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301496
PNG
(N-(4-methyl-2-(2-(10-morpholino-6,7,8,9-tetrahydro...)
Show SMILES Cc1ccc(NS(C)(=O)=O)c(c1)C(=O)N1CCCCC1c1cc2nc3CCCCCc3c(N3CCOCC3)n2n1
Show InChI InChI=1S/C29H38N6O4S/c1-20-11-12-24(32-40(2,37)38)22(18-20)29(36)34-13-7-6-10-26(34)25-19-27-30-23-9-5-3-4-8-21(23)28(35(27)31-25)33-14-16-39-17-15-33/h11-12,18-19,26,32H,3-10,13-17H2,1-2H3
PDB

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n/an/an/an/a 66.1n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301502
PNG
(2-(1-(5-methylquinazolin-4-yl)piperidin-2-yl)-9-mo...)
Show SMILES Cc1cccc2ncnc(N3CCCCC3c3cc4nc5COCCc5c(N5CCOCC5)n4n3)c12
Show InChI InChI=1S/C27H31N7O2/c1-18-5-4-6-20-25(18)26(29-17-28-20)33-9-3-2-7-23(33)21-15-24-30-22-16-36-12-8-19(22)27(34(24)31-21)32-10-13-35-14-11-32/h4-6,15,17,23H,2-3,7-14,16H2,1H3
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n/an/an/an/a 3.72E+3n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301508
PNG
(9-methyl-2-(1-(5-methylquinazolin-4-yl)piperidin-2...)
Show SMILES Cc1cccc2ncnc(N3CCCCC3c3cc4nc5CCCCc5c(C)n4n3)c12
Show InChI InChI=1S/C25H28N6/c1-16-8-7-11-20-24(16)25(27-15-26-20)30-13-6-5-12-22(30)21-14-23-28-19-10-4-3-9-18(19)17(2)31(23)29-21/h7-8,11,14-15,22H,3-6,9-10,12-13H2,1-2H3
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n/an/an/an/a 776n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301474
PNG
(US10131673, Compound P1)
Show SMILES Cc1ccc(NS(C)(=O)=O)c(c1)C(=O)N1CCCCC1c1cc2nc3CCCCc3c(N3CCOCC3)n2n1
Show InChI InChI=1S/C28H36N6O4S/c1-19-10-11-23(31-39(2,36)37)21(17-19)28(35)33-12-6-5-9-25(33)24-18-26-29-22-8-4-3-7-20(22)27(34(26)30-24)32-13-15-38-16-14-32/h10-11,17-18,25,31H,3-9,12-16H2,1-2H3
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n/an/an/an/a 1.78n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301477
PNG
(US10131673, Compound P4)
Show SMILES Cc1ccc2ncnc(N3CCCCC3c3cc4nc5CCCCc5c(N5CCOCC5)n4n3)c2c1
Show InChI InChI=1S/C28H33N7O/c1-19-9-10-22-21(16-19)27(30-18-29-22)34-11-5-4-8-25(34)24-17-26-31-23-7-3-2-6-20(23)28(35(26)32-24)33-12-14-36-15-13-33/h9-10,16-18,25H,2-8,11-15H2,1H3
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n/an/an/an/a 166n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301481
PNG
(US10131673, Compound P8)
Show SMILES Cc1cccc2nc(NS(C)(=O)=O)nc(N3CCCCC3c3cc4nc5CCCCc5c(N5CCOCC5)n4n3)c12
Show InChI InChI=1S/C29H36N8O3S/c1-19-8-7-11-22-26(19)27(32-29(31-22)34-41(2,38)39)36-13-6-5-12-24(36)23-18-25-30-21-10-4-3-9-20(21)28(37(25)33-23)35-14-16-40-17-15-35/h7-8,11,18,24H,3-6,9-10,12-17H2,1-2H3,(H,31,32,34)
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n/an/an/an/a 162n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301495
PNG
(2-(1-(5-methylquinazolin-4-yl)piperidin-2-yl)-8-(p...)
Show SMILES Cc1cccc2ncnc(N3CCCCC3c3cc4nc5CCCc5c(N5CCCC5)n4n3)c12
Show InChI InChI=1S/C27H31N7/c1-18-8-6-11-21-25(18)26(29-17-28-21)33-15-3-2-12-23(33)22-16-24-30-20-10-7-9-19(20)27(34(24)31-22)32-13-4-5-14-32/h6,8,11,16-17,23H,2-5,7,9-10,12-15H2,1H3
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n/an/an/an/a 282n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301497
PNG
(4-(2-(1-(5-methylquinazolin-4-yl)piperidin-2-yl)-6...)
Show SMILES Cc1cccc2ncnc(N3CCCCC3c3cc4nc5CCCCCc5c(N5CCOCC5)n4n3)c12
Show InChI InChI=1S/C29H35N7O/c1-20-8-7-11-23-27(20)28(31-19-30-23)35-13-6-5-12-25(35)24-18-26-32-22-10-4-2-3-9-21(22)29(36(26)33-24)34-14-16-37-17-15-34/h7-8,11,18-19,25H,2-6,9-10,12-17H2,1H3
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n/an/an/an/a 9.55E+3n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301506
PNG
(2-(1-(2-ethoxy-5-methylquinazolin-4-yl)piperidin-2...)
Show SMILES CCOc1nc(N2CCCCC2c2cc3nc4CCOCc4c(N4CCOCC4)n3n2)c2c(C)cccc2n1
Show InChI InChI=1S/C29H35N7O3/c1-3-39-29-31-22-8-6-7-19(2)26(22)27(32-29)35-11-5-4-9-24(35)23-17-25-30-21-10-14-38-18-20(21)28(36(25)33-23)34-12-15-37-16-13-34/h6-8,17,24H,3-5,9-16,18H2,1-2H3
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n/an/an/an/a 813n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301507
PNG
(US10131673, Compound P34)
Show SMILES Cc1ccc(NS(C)(=O)=O)c(c1)C(=O)N1CCCCC1c1cc2nc3CCOCc3c(N3CCOCC3)n2n1
Show InChI InChI=1S/C27H34N6O5S/c1-18-6-7-22(30-39(2,35)36)19(15-18)27(34)32-9-4-3-5-24(32)23-16-25-28-21-8-12-38-17-20(21)26(33(25)29-23)31-10-13-37-14-11-31/h6-7,15-16,24,30H,3-5,8-14,17H2,1-2H3
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n/an/an/an/a 20.9n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301514
PNG
(N-(5-methyl-4-(2-(8-morpholino-6,7-dihydro-5H-cycl...)
Show SMILES Cc1cccc2nc(NS(C)(=O)=O)nc(N3CCCCC3c3cc4nc5CCCc5c(N5CCOCC5)n4n3)c12
Show InChI InChI=1S/C28H34N8O3S/c1-18-7-5-10-21-25(18)26(31-28(30-21)33-40(2,37)38)35-12-4-3-11-23(35)22-17-24-29-20-9-6-8-19(20)27(36(24)32-22)34-13-15-39-16-14-34/h5,7,10,17,23H,3-4,6,8-9,11-16H2,1-2H3,(H,30,31,33)
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n/an/an/an/a 229n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301493
PNG
(US10131673, Compound P20)
Show SMILES Cc1ccc(NS(C)(=O)=O)c(c1)C(=O)N1CCCCC1c1cc2nc3CCCc3c(N3CCOCC3)n2n1
Show InChI InChI=1S/C27H34N6O4S/c1-18-9-10-22(30-38(2,35)36)20(16-18)27(34)32-11-4-3-8-24(32)23-17-25-28-21-7-5-6-19(21)26(33(25)29-23)31-12-14-37-15-13-31/h9-10,16-17,24,30H,3-8,11-15H2,1-2H3
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n/an/an/an/a 22.9n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301480
PNG
(US10131673, Compound P7)
Show SMILES Cc1cccc2nc(NS(C)(=O)=O)nc(N3CCCCC3c3cc4nc5CCCCc5c(N5CCOCC5)n4n3)c12
Show InChI InChI=1S/C29H36N8O3S/c1-19-8-7-11-22-26(19)27(32-29(31-22)34-41(2,38)39)36-13-6-5-12-24(36)23-18-25-30-21-10-4-3-9-20(21)28(37(25)33-23)35-14-16-40-17-15-35/h7-8,11,18,24H,3-6,9-10,12-17H2,1-2H3,(H,31,32,34)
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n/an/an/an/a 6.03n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301488
PNG
(N-(2-(2-(9-(dimethylamino)-5,6,7,8-tetrahydropyraz...)
Show SMILES CN(C)c1c2CCCCc2nc2cc(nn12)C1CCCCN1C(=O)c1cc(C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C26H34N6O3S/c1-17-12-13-21(29-36(4,34)35)19(15-17)26(33)31-14-8-7-11-23(31)22-16-24-27-20-10-6-5-9-18(20)25(30(2)3)32(24)28-22/h12-13,15-16,23,29H,5-11,14H2,1-4H3
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n/an/an/an/a 1.78n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301504
PNG
(2-(1-(2-chloro-5-methylquinazolin-4-yl)piperidin-2...)
Show SMILES Cc1cccc2nc(Cl)nc(N3CCCCC3c3cc4nc5COCCc5c(N5CCOCC5)n4n3)c12
Show InChI InChI=1S/C27H30ClN7O2/c1-17-5-4-6-19-24(17)25(31-27(28)30-19)34-9-3-2-7-22(34)20-15-23-29-21-16-37-12-8-18(21)26(35(23)32-20)33-10-13-36-14-11-33/h4-6,15,22H,2-3,7-14,16H2,1H3
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n/an/an/an/a 955n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301483
PNG
(4-(2-(1-(5-fluoroquinazolin-4-yl)piperidin-2-yl)-5...)
Show SMILES Fc1cccc2ncnc(N3CCCCC3c3cc4nc5CCCCc5c(N5CCOCC5)n4n3)c12
Show InChI InChI=1S/C27H30FN7O/c28-19-7-5-9-21-25(19)26(30-17-29-21)34-11-4-3-10-23(34)22-16-24-31-20-8-2-1-6-18(20)27(35(24)32-22)33-12-14-36-15-13-33/h5,7,9,16-17,23H,1-4,6,8,10-15H2
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n/an/an/an/a 891n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301487
PNG
(US10131673, Compound P14)
Show SMILES Cc1ccc(NS(C)(=O)=O)c(c1)C(=O)N1CCCCC1c1cc2nc3CCCCc3c(O)n2n1
Show InChI InChI=1S/C24H29N5O4S/c1-15-10-11-19(27-34(2,32)33)17(13-15)23(30)28-12-6-5-9-21(28)20-14-22-25-18-8-4-3-7-16(18)24(31)29(22)26-20/h10-11,13-14,21,27,31H,3-9,12H2,1-2H3
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n/an/an/an/a 40.7n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301490
PNG
(N-(4-methyl-2-(2-(5,6,7,8-tetrahydropyrazolo[5,1-b...)
Show SMILES Cc1ccc(NS(C)(=O)=O)c(c1)C(=O)N1CCCCC1c1cc2nc3CCCCc3cn2n1
Show InChI InChI=1S/C24H29N5O3S/c1-16-10-11-20(27-33(2,31)32)18(13-16)24(30)28-12-6-5-9-22(28)21-14-23-25-19-8-4-3-7-17(19)15-29(23)26-21/h10-11,13-15,22,27H,3-9,12H2,1-2H3
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n/an/an/an/a 97.7n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301494
PNG
(4-(2-(1-(5-methylquinazolin-4-yl)piperidin-2-yl)-6...)
Show SMILES Cc1cccc2ncnc(N3CCCCC3c3cc4nc5CCCc5c(N5CCOCC5)n4n3)c12
Show InChI InChI=1S/C27H31N7O/c1-18-6-4-9-21-25(18)26(29-17-28-21)33-11-3-2-10-23(33)22-16-24-30-20-8-5-7-19(20)27(34(24)31-22)32-12-14-35-15-13-32/h4,6,9,16-17,23H,2-3,5,7-8,10-15H2,1H3
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n/an/an/an/a 708n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301501
PNG
(US10131673, Compound P28)
Show SMILES Cc1ccc(NS(C)(=O)=O)c(c1)C(=O)N1CCCCC1c1cc2nc3COCCc3c(N3CCOCC3)n2n1
Show InChI InChI=1S/C27H34N6O5S/c1-18-6-7-21(30-39(2,35)36)20(15-18)27(34)32-9-4-3-5-24(32)22-16-25-28-23-17-38-12-8-19(23)26(33(25)29-22)31-10-13-37-14-11-31/h6-7,15-16,24,30H,3-5,8-14,17H2,1-2H3
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n/an/an/an/a 355n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301503
PNG
(2-(1-(5-methylquinazolin-4-yl)piperidin-2-yl)-9-mo...)
Show SMILES Cc1cccc2ncnc(N3CCCCC3c3cc4nc5CCOCc5c(N5CCOCC5)n4n3)c12
Show InChI InChI=1S/C27H31N7O2/c1-18-5-4-6-21-25(18)26(29-17-28-21)33-9-3-2-7-23(33)22-15-24-30-20-8-12-36-16-19(20)27(34(24)31-22)32-10-13-35-14-11-32/h4-6,15,17,23H,2-3,7-14,16H2,1H3
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n/an/an/an/a 282n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301509
PNG
(5-methyl-2-(1-(5-methylquinazolin-4-yl)piperidin-2...)
Show SMILES Cc1cccc2ncnc(N3CCCCC3c3cc4nc(C)c5CCCCc5n4n3)c12
Show InChI InChI=1S/C25H28N6/c1-16-8-7-10-19-24(16)25(27-15-26-19)30-13-6-5-12-22(30)20-14-23-28-17(2)18-9-3-4-11-21(18)31(23)29-20/h7-8,10,14-15,22H,3-6,9,11-13H2,1-2H3
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n/an/an/an/a 977n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

More data for this
Ligand-Target Pair
Matrix M2-1


(Human respiratory syncytial virus A (strain A2))
BDBM301484
PNG
(US10131673, Compound P11)
Show SMILES FC(F)(F)c1cccc2ncnc(N3CCCCC3c3cc4nc5CCCCc5c(N5CCOCC5)n4n3)c12
Show InChI InChI=1S/C28H30F3N7O/c29-28(30,31)19-7-5-9-21-25(19)26(33-17-32-21)37-11-4-3-10-23(37)22-16-24-34-20-8-2-1-6-18(20)27(38(24)35-22)36-12-14-39-15-13-36/h5,7,9,16-17,23H,1-4,6,8,10-15H2
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n/an/an/an/a 676n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...


US Patent US10131673 (2018)

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