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Patent code US10189838

Compile Data Set for Download or QSAR
Found 117 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))
BDBM324640
PNG
(1'-({5-Fluoro-1-[2- (methylsulfonyl)ethyl]-1H-indo...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(F)ccc12
Show InChI InChI=1S/C21H20FN3O3S/c1-29(27,28)9-8-24-16(11-14-10-15(22)2-3-18(14)24)13-25-19-12-23-7-4-17(19)21(5-6-21)20(25)26/h2-4,7,10-12H,5-6,8-9,13H2,1H3
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n/an/an/an/a 189n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324646
PNG
(1'-({1-[2-(Methylsulfonyl)ethyl]-5- (trifluorometh...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(ccc12)C(F)(F)F
Show InChI InChI=1S/C22H20F3N3O3S/c1-32(30,31)9-8-27-16(11-14-10-15(22(23,24)25)2-3-18(14)27)13-28-19-12-26-7-4-17(19)21(5-6-21)20(28)29/h2-4,7,10-12H,5-6,8-9,13H2,1H3
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n/an/an/an/a 557n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324658
PNG
(1'-({5-Chloro-1-[2- (methylsulfonyl)ethyl]-1H- pyr...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CCCC3)c3ccncc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C22H23ClN4O3S/c1-31(29,30)9-8-26-17(11-15-10-16(23)12-25-20(15)26)14-27-19-13-24-7-4-18(19)22(21(27)28)5-2-3-6-22/h4,7,10-13H,2-3,5-6,8-9,14H2,1H3
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n/an/an/an/a 919n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324661
PNG
(1'-({5-Chloro-1-[2- (methylsulfonyl)ethyl]-1H-indo...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CCCC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C23H24ClN3O3S/c1-31(29,30)11-10-26-18(13-16-12-17(24)4-5-20(16)26)15-27-21-14-25-9-6-19(21)23(22(27)28)7-2-3-8-23/h4-6,9,12-14H,2-3,7-8,10-11,15H2,1H3
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n/an/an/an/a 290n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324678
PNG
(1'-({5-Chloro-1-[4- (methylsulfonyl)butyl]-1H- pyr...)
Show SMILES CS(=O)(=O)CCCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C22H23ClN4O3S/c1-31(29,30)9-3-2-8-26-17(11-15-10-16(23)12-25-20(15)26)14-27-19-13-24-7-4-18(19)22(5-6-22)21(27)28/h4,7,10-13H,2-3,5-6,8-9,14H2,1H3
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n/an/an/an/a 54.9n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324680
PNG
(1'-({5-Chloro-1-[2- (methylsulfonyl)ethyl]-1H- pyr...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ncc12
Show InChI InChI=1S/C20H19ClN4O3S/c1-29(27,28)7-6-24-14(8-13-9-18(21)23-11-16(13)24)12-25-17-10-22-5-2-15(17)20(3-4-20)19(25)26/h2,5,8-11H,3-4,6-7,12H2,1H3
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n/an/an/an/a 269n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324711
PNG
(3-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'- py...)
Show SMILES CN(C(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12)S(C)(=O)=O
Show InChI InChI=1S/C23H23ClN4O4S/c1-26(33(2,31)32)21(29)6-10-27-17(12-15-11-16(24)3-4-19(15)27)14-28-20-13-25-9-5-18(20)23(7-8-23)22(28)30/h3-5,9,11-13H,6-8,10,14H2,1-2H3
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n/an/an/an/a 47n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324713
PNG
(1'-[(5-Chloro-1-{3-[(3R)-3- hydroxypyrrolidin-1-yl...)
Show SMILES O[C@@H]1CCN(CCCn2c(CN3C(=O)C4(CC4)c4ccncc34)cc3cc(Cl)ccc23)C1
Show InChI InChI=1S/C25H27ClN4O2/c26-18-2-3-22-17(12-18)13-19(29(22)10-1-9-28-11-5-20(31)16-28)15-30-23-14-27-8-4-21(23)25(6-7-25)24(30)32/h2-4,8,12-14,20,31H,1,5-7,9-11,15-16H2/t20-/m1/s1
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n/an/an/an/a 544n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324718
PNG
(1'-({5-Chloro-1-[2-(piperazin-1- yl)ethyl]-1H-indo...)
Show SMILES Clc1ccc2n(CCN3CCNCC3)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C24H26ClN5O/c25-18-1-2-21-17(13-18)14-19(29(21)12-11-28-9-7-26-8-10-28)16-30-22-15-27-6-3-20(22)24(4-5-24)23(30)31/h1-3,6,13-15,26H,4-5,7-12,16H2
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n/an/an/an/a 68n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324729
PNG
(1'-[(5-Chloro-1-{2-[4- (methylsulfonyl)piperazin-1...)
Show SMILES CS(=O)(=O)N1CCN(CCn2c(CN3C(=O)C4(CC4)c4ccncc34)cc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C25H28ClN5O3S/c1-35(33,34)29-11-8-28(9-12-29)10-13-30-20(15-18-14-19(26)2-3-22(18)30)17-31-23-16-27-7-4-21(23)25(5-6-25)24(31)32/h2-4,7,14-16H,5-6,8-13,17H2,1H3
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n/an/an/an/a 6n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324731
PNG
(N-(3-{5-chloro-2-[(2'- oxospiro[cyclopropane-1,3'-...)
Show SMILES CS(=O)(=O)NCCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C22H23ClN4O3S/c1-31(29,30)25-8-2-10-26-17(12-15-11-16(23)3-4-19(15)26)14-27-20-13-24-9-5-18(20)22(6-7-22)21(27)28/h3-5,9,11-13,25H,2,6-8,10,14H2,1H3
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n/an/an/an/a 499n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324734
PNG
(Methyl (3-{5-chloro-2-[(2'- oxospiro[cyclopropane-...)
Show SMILES COC(=O)NCCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C23H23ClN4O3/c1-31-22(30)26-8-2-10-27-17(12-15-11-16(24)3-4-19(15)27)14-28-20-13-25-9-5-18(20)23(6-7-23)21(28)29/h3-5,9,11-13H,2,6-8,10,14H2,1H3,(H,26,30)
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n/an/an/an/a 20n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324744
PNG
(1'-({5-Chloro-1-[2-(1,1- dioxidothietan-3-yl)ethyl...)
Show SMILES Clc1ccc2n(CCC3CS(=O)(=O)C3)c(CN3C(=O)C4(CC4)c4ccncc34)nc2c1
Show InChI InChI=1S/C22H21ClN4O3S/c23-15-1-2-18-17(9-15)25-20(26(18)8-4-14-12-31(29,30)13-14)11-27-19-10-24-7-3-16(19)22(5-6-22)21(27)28/h1-3,7,9-10,14H,4-6,8,11-13H2
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n/an/an/an/a 1.10n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324746
PNG
(1'-({5-Chloro-1-[2- (cyclopropylsulfonyl)ethyl]-1H...)
Show SMILES Clc1ccc2n(CCS(=O)(=O)C3CC3)c(CN3C(=O)C4(CC4)c4ccncc34)nc2c1
Show InChI InChI=1S/C22H21ClN4O3S/c23-14-1-4-18-17(11-14)25-20(26(18)9-10-31(29,30)15-2-3-15)13-27-19-12-24-8-5-16(19)22(6-7-22)21(27)28/h1,4-5,8,11-12,15H,2-3,6-7,9-10,13H2
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n/an/an/an/a 8n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324644
PNG
(1'-({5-Ethyl-1-[2- (methylsulfonyl)ethyl]-1H-indol...)
Show SMILES CCc1ccc2n(CCS(C)(=O)=O)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C23H25N3O3S/c1-3-16-4-5-20-17(12-16)13-18(25(20)10-11-30(2,28)29)15-26-21-14-24-9-6-19(21)23(7-8-23)22(26)27/h4-6,9,12-14H,3,7-8,10-11,15H2,1-2H3
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n/an/an/an/a 220n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324647
PNG
(1'-({5,6-Difluoro-1-[2- (methylsulfonyl)ethyl]-1H-...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(F)c(F)cc12
Show InChI InChI=1S/C21H19F2N3O3S/c1-30(28,29)7-6-25-14(8-13-9-16(22)17(23)10-18(13)25)12-26-19-11-24-5-2-15(19)21(3-4-21)20(26)27/h2,5,8-11H,3-4,6-7,12H2,1H3
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n/an/an/an/a 935n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324652
PNG
(1'-({5-Chloro-1-[2- (ethylsulfonyl)ethyl]-1H-pyrro...)
Show SMILES CCS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C21H21ClN4O3S/c1-2-30(28,29)8-7-25-16(10-14-9-15(22)11-24-19(14)25)13-26-18-12-23-6-3-17(18)21(4-5-21)20(26)27/h3,6,9-12H,2,4-5,7-8,13H2,1H3
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n/an/an/an/a 19n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324655
PNG
(1'-({5-Chloro-1-[2- (methylsulfonyl)ethyl]-1H-indo...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3cccnc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C21H20ClN3O3S/c1-29(27,28)10-9-24-16(12-14-11-15(22)4-5-18(14)24)13-25-19-17(3-2-8-23-19)21(6-7-21)20(25)26/h2-5,8,11-12H,6-7,9-10,13H2,1H3
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n/an/an/an/a 169n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324691
PNG
(1'-({5-Chloro-1-[3-(1,1-dioxido-1,2- thiazolidin-2...)
Show SMILES Clc1ccc2n(CCCN3CCCS3(=O)=O)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C24H25ClN4O3S/c25-18-3-4-21-17(13-18)14-19(28(21)11-1-9-27-10-2-12-33(27,31)32)16-29-22-15-26-8-5-20(22)24(6-7-24)23(29)30/h3-5,8,13-15H,1-2,6-7,9-12,16H2
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n/an/an/an/a 29n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324662
PNG
(1''-({5-Chloro-1-[2- (methylsulfonyl)ethyl]-1H-ind...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C21H20ClN3O3S/c1-29(27,28)9-8-24-16(11-14-10-15(22)2-3-18(14)24)13-25-19-12-23-7-4-17(19)21(5-6-21)20(25)26/h2-4,7,10-12H,5-6,8-9,13H2,1H3
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n/an/an/an/a 19n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324698
PNG
(1'-({5-Chloro-1-[3-(S- methylsulfomidoyl)propyl]-1...)
Show SMILES CS(=N)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C22H23ClN4O2S/c1-30(24,29)10-2-9-26-17(12-15-11-16(23)3-4-19(15)26)14-27-20-13-25-8-5-18(20)22(6-7-22)21(27)28/h3-5,8,11-13,24H,2,6-7,9-10,14H2,1H3
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n/an/an/an/a 6n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324710
PNG
(3-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'- py...)
Show SMILES CN(C(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12)S(=O)(=O)C1CC1
Show InChI InChI=1S/C25H25ClN4O4S/c1-28(35(33,34)19-3-4-19)23(31)7-11-29-18(13-16-12-17(26)2-5-21(16)29)15-30-22-14-27-10-6-20(22)25(8-9-25)24(30)32/h2,5-6,10,12-14,19H,3-4,7-9,11,15H2,1H3
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n/an/an/an/a 59n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324694
PNG
(1''-[{5-Chloro-1-[3- (methylsulfonyl)propyl]-1H-in...)
Show SMILES CS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C22H22ClN3O3S/c1-30(28,29)10-2-9-25-17(12-15-11-16(23)3-4-19(15)25)14-26-20-13-24-8-5-18(20)22(6-7-22)21(26)27/h3-5,8,11-13H,2,6-7,9-10,14H2,1H3
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n/an/an/an/a 3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324717
PNG
(1'-({5-Chloro-1-[3- (ethylsulfonyl)propyl]-1H- pyr...)
Show SMILES CCS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C22H23ClN4O3S/c1-2-31(29,30)9-3-8-26-17(11-15-10-16(23)12-25-20(15)26)14-27-19-13-24-7-4-18(19)22(5-6-22)21(27)28/h4,7,10-13H,2-3,5-6,8-9,14H2,1H3
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n/an/an/an/a 63n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324727
PNG
(N-[(3-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'...)
Show SMILES CC(=O)NS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C22H22ClN5O4S/c1-14(29)26-33(31,32)8-2-7-27-17(10-15-9-16(23)11-25-20(15)27)13-28-19-12-24-6-3-18(19)22(4-5-22)21(28)30/h3,6,9-12H,2,4-5,7-8,13H2,1H3,(H,26,29)
PDB

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n/an/an/an/a 1.92E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324733
PNG
(1'-[(5-Chloro-1-{3-[(2- hydroxyethyl)amino]propyl}...)
Show SMILES OCCNCCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C23H25ClN4O2/c24-17-2-3-20-16(12-17)13-18(27(20)10-1-7-25-9-11-29)15-28-21-14-26-8-4-19(21)23(5-6-23)22(28)30/h2-4,8,12-14,25,29H,1,5-7,9-11,15H2
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n/an/an/an/a 244n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324753
PNG
(1'-({1-[(3-Aminooxetan-3- yl)methyl]-5-chloro-7-fl...)
Show SMILES NC1(Cn2c(CN3C(=O)C4(CC4)c4ccncc34)nc3cc(Cl)cc(F)c23)COC1
Show InChI InChI=1S/C21H19ClFN5O2/c22-12-5-14(23)18-15(6-12)26-17(28(18)9-20(24)10-30-11-20)8-27-16-7-25-4-1-13(16)21(2-3-21)19(27)29/h1,4-7H,2-3,8-11,24H2
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n/an/an/an/a 227n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324639
PNG
(1-[2-(Methylsulfonyl)ethyl]-2-[(2'- oxospiro[cyclo...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(ccc12)C#N
Show InChI InChI=1S/C22H20N4O3S/c1-30(28,29)9-8-25-17(11-16-10-15(12-23)2-3-19(16)25)14-26-20-13-24-7-4-18(20)22(5-6-22)21(26)27/h2-4,7,10-11,13H,5-6,8-9,14H2,1H3
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n/an/an/an/a 938n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324649
PNG
(1'-({5-Methyl-1-[2- (methylsulfonyl)ethyl]-1H-indo...)
Show SMILES Cc1ccc2n(CCS(C)(=O)=O)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C22H23N3O3S/c1-15-3-4-19-16(11-15)12-17(24(19)9-10-29(2,27)28)14-25-20-13-23-8-5-18(20)22(6-7-22)21(25)26/h3-5,8,11-13H,6-7,9-10,14H2,1-2H3
PDB

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n/an/an/an/a 9n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324656
PNG
(1''-({5-Chloro-1-[2- (methylsulfonyl)ethyl]-1H- py...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C20H19ClN4O3S/c1-29(27,28)7-6-24-15(9-13-8-14(21)10-23-18(13)24)12-25-17-11-22-5-2-16(17)20(3-4-20)19(25)26/h2,5,8-11H,3-4,6-7,12H2,1H3
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n/an/an/an/a 27.3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324664
PNG
(1'-({5-Chloro-1-[4- (methylsulfonyl)benzyl]-1H-ind...)
Show SMILES CS(=O)(=O)c1ccc(Cn2c(CN3C(=O)C4(CC4)c4ccncc34)cc3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C26H22ClN3O3S/c1-34(32,33)21-5-2-17(3-6-21)15-29-20(13-18-12-19(27)4-7-23(18)29)16-30-24-14-28-11-8-22(24)26(9-10-26)25(30)31/h2-8,11-14H,9-10,15-16H2,1H3
PDB

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n/an/an/an/a 275n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324672
PNG
(1'-({5-Chloro-1-[2-(thietan-3- yl)ethyl]-1H-pyrrol...)
Show SMILES Clc1cc2cc(CN3C(=O)C4(CC4)c4ccncc34)n(CCC3CSC3)c2cn1
Show InChI InChI=1S/C22H21ClN4OS/c23-20-8-15-7-16(26(18(15)10-25-20)6-2-14-12-29-13-14)11-27-19-9-24-5-1-17(19)22(3-4-22)21(27)28/h1,5,7-10,14H,2-4,6,11-13H2
PDB

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n/an/an/an/a 74n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324675
PNG
(1'-({5-Chloro-1-[3- (methylsulfonyl)propyl]-1H- py...)
Show SMILES CS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ncc12
Show InChI InChI=1S/C21H21ClN4O3S/c1-30(28,29)8-2-7-25-15(9-14-10-19(22)24-12-17(14)25)13-26-18-11-23-6-3-16(18)21(4-5-21)20(26)27/h3,6,9-12H,2,4-5,7-8,13H2,1H3
PDB

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n/an/an/an/a 26n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324702
PNG
(N-[(2-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'...)
Show SMILES CC(=O)N=S(C)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C23H23ClN4O3S/c1-15(29)26-32(2,31)10-9-27-18(12-16-11-17(24)3-4-20(16)27)14-28-21-13-25-8-5-19(21)23(6-7-23)22(28)30/h3-5,8,11-13H,6-7,9-10,14H2,1-2H3
PDB

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n/an/an/an/a 25n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324705
PNG
(Methyl 4-{5-chloro-2-[(2'- oxospiro[cyclopropane-1...)
Show SMILES COC(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C23H22ClN3O3/c1-30-21(28)3-2-10-26-17(12-15-11-16(24)4-5-19(15)26)14-27-20-13-25-9-6-18(20)23(7-8-23)22(27)29/h4-6,9,11-13H,2-3,7-8,10,14H2,1H3
PDB

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n/an/an/an/a 18.6n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324707
PNG
(3-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'- py...)
Show SMILES NC(=O)CCn1c(CN2C(=O)C3(CC3)c3cccnc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C21H19ClN4O2/c22-14-3-4-17-13(10-14)11-15(25(17)9-5-18(23)27)12-26-19-16(2-1-8-24-19)21(6-7-21)20(26)28/h1-4,8,10-11H,5-7,9,12H2,(H2,23,27)
PDB

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n/an/an/an/a 711n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324715
PNG
(1'-({5-Chloro-1-[3- (methylsulfonyl)propyl]-1H-ind...)
Show SMILES CS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3cccnc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C22H22ClN3O3S/c1-30(28,29)11-3-10-25-17(13-15-12-16(23)5-6-19(15)25)14-26-20-18(4-2-9-24-20)22(7-8-22)21(26)27/h2,4-6,9,12-13H,3,7-8,10-11,14H2,1H3
PDB

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n/an/an/an/a 88n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324735
PNG
(3-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'- py...)
Show SMILES FC(F)(F)CNC(=O)OCCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C24H22ClF3N4O3/c25-16-2-3-19-15(10-16)11-17(31(19)8-1-9-35-22(34)30-14-24(26,27)28)13-32-20-12-29-7-4-18(20)23(5-6-23)21(32)33/h2-4,7,10-12H,1,5-6,8-9,13-14H2,(H,30,34)
PDB

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n/an/an/an/a 52n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324747
PNG
(1'-({5-Chloro-7-fluoro-1-[2- (methylsulfonyl)ethyl...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)nc2cc(Cl)cc(F)c12
Show InChI InChI=1S/C20H18ClFN4O3S/c1-30(28,29)7-6-25-17(24-15-9-12(21)8-14(22)18(15)25)11-26-16-10-23-5-2-13(16)20(3-4-20)19(26)27/h2,5,8-10H,3-4,6-7,11H2,1H3
PDB

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n/an/an/an/a 9n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324751
PNG
(1'-{[5-Chloro-7-fluoro-1-(oxetan-3- ylmethyl)-1H-b...)
Show SMILES Fc1cc(Cl)cc2nc(CN3C(=O)C4(CC4)c4ccncc34)n(CC3COC3)c12
Show InChI InChI=1S/C21H18ClFN4O2/c22-13-5-15(23)19-16(6-13)25-18(27(19)8-12-10-29-11-12)9-26-17-7-24-4-1-14(17)21(2-3-21)20(26)28/h1,4-7,12H,2-3,8-11H2
PDB

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n/an/an/an/a 30n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324643
PNG
(1'-({7-Chloro-1-[2- (methylsulfonyl)ethyl]-1H-indo...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cccc(Cl)c12
Show InChI InChI=1S/C21H20ClN3O3S/c1-29(27,28)10-9-24-15(11-14-3-2-4-17(22)19(14)24)13-25-18-12-23-8-5-16(18)21(6-7-21)20(25)26/h2-5,8,11-12H,6-7,9-10,13H2,1H3
PDB

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n/an/an/an/a 164n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324650
PNG
(1'-({1-[2-(Methylsulfonyl)ethyl]-1H- pyrrolo[3,2-c...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cnccc12
Show InChI InChI=1S/C20H20N4O3S/c1-28(26,27)9-8-23-15(10-14-11-21-7-3-17(14)23)13-24-18-12-22-6-2-16(18)20(4-5-20)19(24)25/h2-3,6-7,10-12H,4-5,8-9,13H2,1H3
PDB

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n/an/an/an/a 77.8n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324651
PNG
(1'-({5-Chloro-1-[2- (ethylsulfonyl)ethyl]-1H-indol...)
Show SMILES CCS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C22H22ClN3O3S/c1-2-30(28,29)10-9-25-17(12-15-11-16(23)3-4-19(15)25)14-26-20-13-24-8-5-18(20)22(6-7-22)21(26)27/h3-5,8,11-13H,2,6-7,9-10,14H2,1H3
PDB

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n/an/an/an/a 7.67n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324653
PNG
(1'-({5-Chloro-1-[2- (ethylsulfonyl)ethyl]-1H-indol...)
Show SMILES CCS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3cccnc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C22H22ClN3O3S/c1-2-30(28,29)11-10-25-17(13-15-12-16(23)5-6-19(15)25)14-26-20-18(4-3-9-24-20)22(7-8-22)21(26)27/h3-6,9,12-13H,2,7-8,10-11,14H2,1H3
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n/an/an/an/a 247n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324662
PNG
(1''-({5-Chloro-1-[2- (methylsulfonyl)ethyl]-1H-ind...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C21H20ClN3O3S/c1-29(27,28)9-8-24-16(11-14-10-15(22)2-3-18(14)24)13-25-19-12-23-7-4-17(19)21(5-6-21)20(25)26/h2-4,7,10-12H,5-6,8-9,13H2,1H3
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n/an/an/an/a 18n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324665
PNG
(1'-({5-Chloro-1-[3- (methylsulfonyl)propyl]-1H- py...)
Show SMILES CS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C21H21ClN4O3S/c1-30(28,29)8-2-7-25-16(10-14-9-15(22)11-24-19(14)25)13-26-18-12-23-6-3-17(18)21(4-5-21)20(26)27/h3,6,9-12H,2,4-5,7-8,13H2,1H3
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n/an/an/an/a 37.9n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324668
PNG
(1'-({5-Chloro-1-[3- (cyclopropylsulfonyl)propyl]-1...)
Show SMILES Clc1ccc2n(CCCS(=O)(=O)C3CC3)c(CN3C(=O)C4(CC4)c4ccncc34)cc2n1
Show InChI InChI=1S/C23H23ClN4O3S/c24-21-5-4-19-18(26-21)12-15(27(19)10-1-11-32(30,31)16-2-3-16)14-28-20-13-25-9-6-17(20)23(7-8-23)22(28)29/h4-6,9,12-13,16H,1-3,7-8,10-11,14H2
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n/an/an/an/a 29n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324677
PNG
(1'-({5-Chloro-1-[3- (methylsulfonyl)propyl]-1H- py...)
Show SMILES CS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2nc(Cl)ccc12
Show InChI InChI=1S/C21H21ClN4O3S/c1-30(28,29)10-2-9-25-14(11-16-17(25)3-4-19(22)24-16)13-26-18-12-23-8-5-15(18)21(6-7-21)20(26)27/h3-5,8,11-12H,2,6-7,9-10,13H2,1H3
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n/an/an/an/a 18n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324684
PNG
(2-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'- py...)
Show SMILES CN(C)S(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C22H23ClN4O3S/c1-25(2)31(29,30)10-9-26-17(12-15-11-16(23)3-4-19(15)26)14-27-20-13-24-8-5-18(20)22(6-7-22)21(27)28/h3-5,8,11-13H,6-7,9-10,14H2,1-2H3
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n/an/an/an/a 23n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324685
PNG
(1'-({5-Chloro-1-[3-(morpholin-4- ylsulfonyl)propyl...)
Show SMILES Clc1ccc2n(CCCS(=O)(=O)N3CCOCC3)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C25H27ClN4O4S/c26-19-2-3-22-18(14-19)15-20(29(22)8-1-13-35(32,33)28-9-11-34-12-10-28)17-30-23-16-27-7-4-21(23)25(5-6-25)24(30)31/h2-4,7,14-16H,1,5-6,8-13,17H2
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n/an/an/an/a 14n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324688
PNG
(1'-({5-Chloro-1-[2-(1,1-dioxido-1,2- thiazolidin-2...)
Show SMILES Clc1ccc2n(CCN3CCCS3(=O)=O)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C23H23ClN4O3S/c24-17-2-3-20-16(12-17)13-18(27(20)10-9-26-8-1-11-32(26,30)31)15-28-21-14-25-7-4-19(21)23(5-6-23)22(28)29/h2-4,7,12-14H,1,5-6,8-11,15H2
PDB

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n/an/an/an/a 35n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324694
PNG
(1''-[{5-Chloro-1-[3- (methylsulfonyl)propyl]-1H-in...)
Show SMILES CS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C22H22ClN3O3S/c1-30(28,29)10-2-9-25-17(12-15-11-16(23)3-4-19(15)25)14-26-20-13-24-8-5-18(20)22(6-7-22)21(26)27/h3-5,8,11-13H,2,6-7,9-10,14H2,1H3
PDB

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n/an/an/an/a 19n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324719
PNG
(1'-({5-Chloro-1-[3-(piperazin-1- ylsulfonyl)propyl...)
Show SMILES Clc1ccc2n(CCCS(=O)(=O)N3CCNCC3)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C25H28ClN5O3S/c26-19-2-3-22-18(14-19)15-20(30(22)10-1-13-35(33,34)29-11-8-27-9-12-29)17-31-23-16-28-7-4-21(23)25(5-6-25)24(31)32/h2-4,7,14-16,27H,1,5-6,8-13,17H2
PDB

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



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324724
PNG
(3-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'- py...)
Show SMILES CNS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C22H23ClN4O3S/c1-24-31(29,30)10-2-9-26-17(12-15-11-16(23)3-4-19(15)26)14-27-20-13-25-8-5-18(20)22(6-7-22)21(27)28/h3-5,8,11-13,24H,2,6-7,9-10,14H2,1H3
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n/an/an/an/a 11n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324726
PNG
(1'-({1-[2-(4-Acetylpiperazin-1- yl)ethyl]-5-chloro...)
Show SMILES CC(=O)N1CCN(CCn2c(CN3C(=O)C4(CC4)c4ccncc34)cc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C26H28ClN5O2/c1-18(33)30-11-8-29(9-12-30)10-13-31-21(15-19-14-20(27)2-3-23(19)31)17-32-24-16-28-7-4-22(24)26(5-6-26)25(32)34/h2-4,7,14-16H,5-6,8-13,17H2,1H3
PDB

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n/an/an/an/a 25n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324737
PNG
(1'-({6-Chloro-3-[2- (methylsulfonyl)ethyl]-1H-indo...)
Show SMILES CS(=O)(=O)CCc1c(CN2C(=O)C3(CC3)c3ccncc23)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C21H20ClN3O3S/c1-29(27,28)9-5-15-14-3-2-13(22)10-17(14)24-18(15)12-25-19-11-23-8-4-16(19)21(6-7-21)20(25)26/h2-4,8,10-11,24H,5-7,9,12H2,1H3
PDB

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n/an/an/an/a 5n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324740
PNG
(1'-({5-Chloro-1-[2- (methylsulfonyl)ethyl]-1H- ben...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3c2cccc3F)nc2cc(Cl)ccc12
Show InChI InChI=1S/C21H19ClFN3O3S/c1-30(28,29)10-9-25-16-6-5-13(22)11-15(16)24-18(25)12-26-17-4-2-3-14(23)19(17)21(7-8-21)20(26)27/h2-6,11H,7-10,12H2,1H3
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n/an/an/an/a 20n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324750
PNG
(1'-({5-Chloro-1-[2-(oxetan-3- yl)ethyl]-1H-benzimi...)
Show SMILES Clc1ccc2n(CCC3COC3)c(CN3C(=O)C4(CC4)c4ccncc34)nc2c1
Show InChI InChI=1S/C22H21ClN4O2/c23-15-1-2-18-17(9-15)25-20(26(18)8-4-14-12-29-13-14)11-27-19-10-24-7-3-16(19)22(5-6-22)21(27)28/h1-3,7,9-10,14H,4-6,8,11-13H2
PDB

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n/an/an/an/a 3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324638
PNG
(1'-({5-Methoxy-1-[2- (methylsulfonyl)ethyl]-1H-ind...)
Show SMILES COc1ccc2n(CCS(C)(=O)=O)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C22H23N3O4S/c1-29-17-3-4-19-15(12-17)11-16(24(19)9-10-30(2,27)28)14-25-20-13-23-8-5-18(20)22(6-7-22)21(25)26/h3-5,8,11-13H,6-7,9-10,14H2,1-2H3
PDB

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n/an/an/an/a 74n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324657
PNG
(1'-({5-Chloro-1-[2- (methylsulfonyl)ethyl]-1H- pyr...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3cc(F)ccc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C21H19ClFN3O3S/c1-30(28,29)7-6-25-16(9-13-8-14(22)11-24-19(13)25)12-26-18-3-2-15(23)10-17(18)21(4-5-21)20(26)27/h2-3,8-11H,4-7,12H2,1H3
PDB

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n/an/an/an/a 750n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324676
PNG
(1'-({5-Chloro-1-[2- (cyclopropylsulfonyl)ethyl]-1H...)
Show SMILES Clc1ccc2n(CCS(=O)(=O)C3CC3)c(CN3C(=O)C4(CC4)c4ccncc34)cc2n1
Show InChI InChI=1S/C22H21ClN4O3S/c23-20-4-3-18-17(25-20)11-14(26(18)9-10-31(29,30)15-1-2-15)13-27-19-12-24-8-5-16(19)22(6-7-22)21(27)28/h3-5,8,11-12,15H,1-2,6-7,9-10,13H2
PDB

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n/an/an/an/a 72n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324690
PNG
(1'-({5-Chloro-1-[3-(1,1- dioxidothiomorpholin-4-yl...)
Show SMILES Clc1ccc2n(CCCN3CCS(=O)(=O)CC3)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C25H27ClN4O3S/c26-19-2-3-22-18(14-19)15-20(29(22)9-1-8-28-10-12-34(32,33)13-11-28)17-30-23-16-27-7-4-21(23)25(5-6-25)24(30)31/h2-4,7,14-16H,1,5-6,8-13,17H2
PDB

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n/an/an/an/a 797n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324701
PNG
(1'-({5-Chloro-1-[2-(S- methylsulfonimidoyl)ethyl]-...)
Show SMILES CS(=N)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C20H20ClN5O2S/c1-29(22,28)7-6-25-15(9-13-8-14(21)10-24-18(13)25)12-26-17-11-23-5-2-16(17)20(3-4-20)19(26)27/h2,5,8-11,22H,3-4,6-7,12H2,1H3
PDB

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n/an/an/an/a 172n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324704
PNG
(3-{5-Chloro-7-fluoro-2-[(2'- oxospiro[cyclopropane...)
Show SMILES OC(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)cc(F)c12
Show InChI InChI=1S/C21H17ClFN3O3/c22-13-7-12-8-14(25(6-2-18(27)28)19(12)16(23)9-13)11-26-17-10-24-5-1-15(17)21(3-4-21)20(26)29/h1,5,7-10H,2-4,6,11H2,(H,27,28)
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n/an/an/an/a 300n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324706
PNG
(3-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'- py...)
Show SMILES NC(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C21H19ClN4O2/c22-14-1-2-17-13(9-14)10-15(25(17)8-4-19(23)27)12-26-18-11-24-7-3-16(18)21(5-6-21)20(26)28/h1-3,7,9-11H,4-6,8,12H2,(H2,23,27)
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n/an/an/an/a 17n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324721
PNG
(1'-({5-Chloro-1-[3-(2-oxopiperazin- 1-yl)propyl]-1...)
Show SMILES Clc1ccc2n(CCCN3CCNCC3=O)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C25H26ClN5O2/c26-18-2-3-21-17(12-18)13-19(30(21)10-1-9-29-11-8-28-15-23(29)32)16-31-22-14-27-7-4-20(22)25(5-6-25)24(31)33/h2-4,7,12-14,28H,1,5-6,8-11,15-16H2
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n/an/an/an/a 30n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324728
PNG
(N-(2-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'-...)
Show SMILES CC(=O)NCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C22H21ClN4O2/c1-14(28)25-8-9-26-17(11-15-10-16(23)2-3-19(15)26)13-27-20-12-24-7-4-18(20)22(5-6-22)21(27)29/h2-4,7,10-12H,5-6,8-9,13H2,1H3,(H,25,28)
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n/an/an/an/a 25n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324739
PNG
(1'-({5-Chloro-1-[2- (methylsulfonyl)ethyl]-1H- ben...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)nc2cc(Cl)ccc12
Show InChI InChI=1S/C20H19ClN4O3S/c1-29(27,28)9-8-24-16-3-2-13(21)10-15(16)23-18(24)12-25-17-11-22-7-4-14(17)20(5-6-20)19(25)26/h2-4,7,10-11H,5-6,8-9,12H2,1H3
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n/an/an/an/a 12n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324660
PNG
(1'-({5-Chloro-1-[2- (methylsulfonyl)ethyl]-1H-indo...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3cnccc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C21H20ClN3O3S/c1-29(27,28)9-8-24-16(11-14-10-15(22)2-3-18(14)24)13-25-19-4-7-23-12-17(19)21(5-6-21)20(25)26/h2-4,7,10-12H,5-6,8-9,13H2,1H3
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n/an/an/an/a 201n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324663
PNG
(1'-({5-Chloro-1-[4- (methylsulfonyl)butyl]-1H-indo...)
Show SMILES CS(=O)(=O)CCCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C23H24ClN3O3S/c1-31(29,30)11-3-2-10-26-18(13-16-12-17(24)4-5-20(16)26)15-27-21-14-25-9-6-19(21)23(7-8-23)22(27)28/h4-6,9,12-14H,2-3,7-8,10-11,15H2,1H3
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n/an/an/an/a 5.90n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324656
PNG
(1''-({5-Chloro-1-[2- (methylsulfonyl)ethyl]-1H- py...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C20H19ClN4O3S/c1-29(27,28)7-6-24-15(9-13-8-14(21)10-23-18(13)24)12-25-17-11-22-5-2-16(17)20(3-4-20)19(25)26/h2,5,8-11H,3-4,6-7,12H2,1H3
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n/an/an/an/a 64n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324667
PNG
(1'-({5-Chloro-1-[4- (methylsulfonyl)butyl]-1H- pyr...)
Show SMILES CS(=O)(=O)CCCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2nc(Cl)ccc12
Show InChI InChI=1S/C22H23ClN4O3S/c1-31(29,30)11-3-2-10-26-15(12-17-18(26)4-5-20(23)25-17)14-27-19-13-24-9-6-16(19)22(7-8-22)21(27)28/h4-6,9,12-13H,2-3,7-8,10-11,14H2,1H3
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n/an/an/an/a 22.1n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324669
PNG
(1'-({5-Chloro-1-[4- (methylsulfonyl)butyl]-1H- pyr...)
Show SMILES CS(=O)(=O)CCCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ncc12
Show InChI InChI=1S/C22H23ClN4O3S/c1-31(29,30)9-3-2-8-26-16(10-15-11-20(23)25-13-18(15)26)14-27-19-12-24-7-4-17(19)22(5-6-22)21(27)28/h4,7,10-13H,2-3,5-6,8-9,14H2,1H3
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n/an/an/an/a 27n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324673
PNG
(1'-({5-Chloro-1-[2-(1,1- dioxidothietan-3-yl)ethyl...)
Show SMILES Clc1cc2cc(CN3C(=O)C4(CC4)c4ccncc34)n(CCC3CS(=O)(=O)C3)c2cn1
Show InChI InChI=1S/C22H21ClN4O3S/c23-20-8-15-7-16(26(18(15)10-25-20)6-2-14-12-31(29,30)13-14)11-27-19-9-24-5-1-17(19)22(3-4-22)21(27)28/h1,5,7-10,14H,2-4,6,11-13H2
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n/an/an/an/a 18n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324683
PNG
(3-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'- py...)
Show SMILES CN(C)S(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C22H24ClN5O3S/c1-26(2)32(30,31)9-3-8-27-17(11-15-10-16(23)12-25-20(15)27)14-28-19-13-24-7-4-18(19)22(5-6-22)21(28)29/h4,7,10-13H,3,5-6,8-9,14H2,1-2H3
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n/an/an/an/a 64n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324686
PNG
(1'-({5-Chloro-1-[3-(pyrrolidin-1- ylsulfonyl)propy...)
Show SMILES Clc1ccc2n(CCCS(=O)(=O)N3CCCC3)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C25H27ClN4O3S/c26-19-4-5-22-18(14-19)15-20(29(22)12-3-13-34(32,33)28-10-1-2-11-28)17-30-23-16-27-9-6-21(23)25(7-8-25)24(30)31/h4-6,9,14-16H,1-3,7-8,10-13,17H2
PDB

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n/an/an/an/a 20n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324692
PNG
(1'-{[5-Chloro-1-(3-hydroxypropyl)- 1H-indol-2- yl]...)
Show SMILES OCCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C21H20ClN3O2/c22-15-2-3-18-14(10-15)11-16(24(18)8-1-9-26)13-25-19-12-23-7-4-17(19)21(5-6-21)20(25)27/h2-4,7,10-12,26H,1,5-6,8-9,13H2
PDB

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n/an/an/an/a 58n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324712
PNG
(3-(2-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'-...)
Show SMILES Clc1ccc2n(CCN3C(=O)CNC3=O)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C23H20ClN5O3/c24-15-1-2-18-14(9-15)10-16(27(18)7-8-28-20(30)12-26-22(28)32)13-29-19-11-25-6-3-17(19)23(4-5-23)21(29)31/h1-3,6,9-11H,4-5,7-8,12-13H2,(H,26,32)
PDB

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n/an/an/an/a 3.48E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324725
PNG
(3-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'- py...)
Show SMILES NS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C20H20ClN5O3S/c21-14-8-13-9-15(25(18(13)24-10-14)6-1-7-30(22,28)29)12-26-17-11-23-5-2-16(17)20(3-4-20)19(26)27/h2,5,8-11H,1,3-4,6-7,12H2,(H2,22,28,29)
PDB

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n/an/an/an/a 41n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324736
PNG
(1'-({6-Chloro-3-[2- (ethylsulfonyl)ethyl]-1H-indol...)
Show SMILES CCS(=O)(=O)CCc1c(CN2C(=O)C3(CC3)c3cccnc23)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C22H22ClN3O3S/c1-2-30(28,29)11-7-16-15-6-5-14(23)12-18(15)25-19(16)13-26-20-17(4-3-10-24-20)22(8-9-22)21(26)27/h3-6,10,12,25H,2,7-9,11,13H2,1H3
PDB

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n/an/an/an/a 9n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324743
PNG
(1'-({5-Chloro-1-[2- (ethylsulfonyl)ethyl]-1H- benz...)
Show SMILES CCS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)nc2cc(Cl)ccc12
Show InChI InChI=1S/C21H21ClN4O3S/c1-2-30(28,29)10-9-25-17-4-3-14(22)11-16(17)24-19(25)13-26-18-12-23-8-5-15(18)21(6-7-21)20(26)27/h3-5,8,11-12H,2,6-7,9-10,13H2,1H3
PDB

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n/an/an/an/a 13n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324749
PNG
(1'-{[5-Chloro-1-(oxetan-3-ylmethyl)- 1H-benzimidaz...)
Show SMILES Clc1ccc2n(CC3COC3)c(CN3C(=O)C4(CC4)c4ccncc34)nc2c1
Show InChI InChI=1S/C21H19ClN4O2/c22-14-1-2-17-16(7-14)24-19(25(17)9-13-11-28-12-13)10-26-18-8-23-6-3-15(18)21(4-5-21)20(26)27/h1-3,6-8,13H,4-5,9-12H2
PDB

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n/an/an/an/a 3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324637
PNG
(1'-({1-[2-(Methylsulfonyl)ethyl]-1H- indol-2- yl}m...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2ccccc12
Show InChI InChI=1S/C21H21N3O3S/c1-28(26,27)11-10-23-16(12-15-4-2-3-5-18(15)23)14-24-19-13-22-9-6-17(19)21(7-8-21)20(24)25/h2-6,9,12-13H,7-8,10-11,14H2,1H3
PDB

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n/an/an/an/a 220n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324641
PNG
(1'-({5-Bromo-1-[2- (methylsulfonyl)ethyl]-1H-indol...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Br)ccc12
Show InChI InChI=1S/C21H20BrN3O3S/c1-29(27,28)9-8-24-16(11-14-10-15(22)2-3-18(14)24)13-25-19-12-23-7-4-17(19)21(5-6-21)20(25)26/h2-4,7,10-12H,5-6,8-9,13H2,1H3
PDB

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n/an/an/an/a 14n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324648
PNG
(1'-({5-Chloro-7-fluoro-1-[2- (methylsulfonyl)ethyl...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)cc(F)c12
Show InChI InChI=1S/C21H19ClFN3O3S/c1-30(28,29)7-6-25-15(9-13-8-14(22)10-17(23)19(13)25)12-26-18-11-24-5-2-16(18)21(3-4-21)20(26)27/h2,5,8-11H,3-4,6-7,12H2,1H3
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n/an/an/an/a 3.40n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324654
PNG
(1'-({5-Chloro-1-[2- (methylsulfonyl)ethyl]-1H- pyr...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CCC3)c3ccncc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C21H21ClN4O3S/c1-30(28,29)8-7-25-16(10-14-9-15(22)11-24-19(14)25)13-26-18-12-23-6-3-17(18)21(20(26)27)4-2-5-21/h3,6,9-12H,2,4-5,7-8,13H2,1H3
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n/an/an/an/a 28.8n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324659
PNG
(1'-({5-Chloro-1-[2- (methylsulfonyl)ethyl]-1H- pyr...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2nc(Cl)ccc12
Show InChI InChI=1S/C20H19ClN4O3S/c1-29(27,28)9-8-24-13(10-15-16(24)2-3-18(21)23-15)12-25-17-11-22-7-4-14(17)20(5-6-20)19(25)26/h2-4,7,10-11H,5-6,8-9,12H2,1H3
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n/an/an/an/a 63n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324670
PNG
(N-Benzyl-3-{5-chloro-2-[(2'- oxospiro[cyclopropane...)
Show SMILES CN(Cc1ccccc1)S(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C28H28ClN5O3S/c1-32(18-20-6-3-2-4-7-20)38(36,37)13-5-12-33-23(15-21-14-22(29)16-31-26(21)33)19-34-25-17-30-11-8-24(25)28(9-10-28)27(34)35/h2-4,6-8,11,14-17H,5,9-10,12-13,18-19H2,1H3
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n/an/an/an/a 778n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324671
PNG
(1'-({5-Chloro-1-[3- (cyclopropylsulfonyl)propyl]-1...)
Show SMILES Clc1cc2cc(CN3C(=O)C4(CC4)c4ccncc34)n(CCCS(=O)(=O)C3CC3)c2cn1
Show InChI InChI=1S/C23H23ClN4O3S/c24-21-11-15-10-16(14-28-20-12-25-7-4-18(20)23(5-6-23)22(28)29)27(19(15)13-26-21)8-1-9-32(30,31)17-2-3-17/h4,7,10-13,17H,1-3,5-6,8-9,14H2
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n/an/an/an/a 48.7n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324674
PNG
(1'-({5-Chloro-1-[3- (methylsulfonyl)propyl]-1H- py...)
Show SMILES CS(=O)(=O)CCCn1c(CN2C(=O)C3(CCC3)c3ccncc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C22H23ClN4O3S/c1-31(29,30)9-3-8-26-17(11-15-10-16(23)12-25-20(15)26)14-27-19-13-24-7-4-18(19)22(21(27)28)5-2-6-22/h4,7,10-13H,2-3,5-6,8-9,14H2,1H3
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n/an/an/an/a 56.8n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324681
PNG
(1'-({5-Chloro-1-[2- (ethylsulfonyl)ethyl]-1H-pyrro...)
Show SMILES CCS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2nc(Cl)ccc12
Show InChI InChI=1S/C21H21ClN4O3S/c1-2-30(28,29)10-9-25-14(11-16-17(25)3-4-19(22)24-16)13-26-18-12-23-8-5-15(18)21(6-7-21)20(26)27/h3-5,8,11-12H,2,6-7,9-10,13H2,1H3
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n/an/an/an/a 131n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324682
PNG
(3-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'- py...)
Show SMILES CN(C)S(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C23H25ClN4O3S/c1-26(2)32(30,31)11-3-10-27-18(13-16-12-17(24)4-5-20(16)27)15-28-21-14-25-9-6-19(21)23(7-8-23)22(28)29/h4-6,9,12-14H,3,7-8,10-11,15H2,1-2H3
PDB

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n/an/an/an/a 7n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324689
PNG
(1'-({5-Chloro-1-[4-(1,1-dioxido-1,2- thiazolidin-2...)
Show SMILES Clc1ccc2n(CCCCN3CCCS3(=O)=O)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C25H27ClN4O3S/c26-19-4-5-22-18(14-19)15-20(29(22)12-2-1-10-28-11-3-13-34(28,32)33)17-30-23-16-27-9-6-21(23)25(7-8-25)24(30)31/h4-6,9,14-16H,1-3,7-8,10-13,17H2
PDB

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n/an/an/an/a 18n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324699
PNG
(1'-({5-Chloro-1-[2-(S- methylsulfonimidoyl)ethyl]-...)
Show SMILES CS(=N)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C21H21ClN4O2S/c1-29(23,28)9-8-25-16(11-14-10-15(22)2-3-18(14)25)13-26-19-12-24-7-4-17(19)21(5-6-21)20(26)27/h2-4,7,10-12,23H,5-6,8-9,13H2,1H3
PDB

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n/an/an/an/a 7n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324703
PNG
(3-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'- py...)
Show SMILES OC(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C21H18ClN3O3/c22-14-1-2-17-13(9-14)10-15(24(17)8-4-19(26)27)12-25-18-11-23-7-3-16(18)21(5-6-21)20(25)28/h1-3,7,9-11H,4-6,8,12H2,(H,26,27)
PDB

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n/an/an/an/a 390n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324708
PNG
(4-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'- py...)
Show SMILES NC(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C22H21ClN4O2/c23-15-3-4-18-14(10-15)11-16(26(18)9-1-2-20(24)28)13-27-19-12-25-8-5-17(19)22(6-7-22)21(27)29/h3-5,8,10-12H,1-2,6-7,9,13H2,(H2,24,28)
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n/an/an/an/a 11n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324709
PNG
(3-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'- py...)
Show SMILES Clc1ccc2n(CCC(=O)NS(=O)(=O)C3CC3)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C24H23ClN4O4S/c25-16-1-4-20-15(11-16)12-17(28(20)10-6-22(30)27-34(32,33)18-2-3-18)14-29-21-13-26-9-5-19(21)24(7-8-24)23(29)31/h1,4-5,9,11-13,18H,2-3,6-8,10,14H2,(H,27,30)
PDB

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n/an/an/an/a 1.18E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324714
PNG
(1'-({5-Chloro-1-[3- (ethylsulfonyl)propyl]-1H-indo...)
Show SMILES CCS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C23H24ClN3O3S/c1-2-31(29,30)11-3-10-26-18(13-16-12-17(24)4-5-20(16)26)15-27-21-14-25-9-6-19(21)23(7-8-23)22(27)28/h4-6,9,12-14H,2-3,7-8,10-11,15H2,1H3
PDB

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n/an/an/an/a 3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324722
PNG
(1'-{[1-(2-Aminoethyl)-5-chloro-1H- indol-2- yl]met...)
Show SMILES NCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C20H19ClN4O/c21-14-1-2-17-13(9-14)10-15(24(17)8-6-22)12-25-18-11-23-7-3-16(18)20(4-5-20)19(25)26/h1-3,7,9-11H,4-6,8,12,22H2
PDB

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n/an/an/an/a 64n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324730
PNG
(N-(2-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'-...)
Show SMILES CS(=O)(=O)NCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C21H21ClN4O3S/c1-30(28,29)24-8-9-25-16(11-14-10-15(22)2-3-18(14)25)13-26-19-12-23-7-4-17(19)21(5-6-21)20(26)27/h2-4,7,10-12,24H,5-6,8-9,13H2,1H3
PDB

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n/an/an/an/a 11.5n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324741
PNG
(4'-Chloro-1'-({5-chloro-1-[2- (methylsulfonyl)ethy...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3c2cccc3Cl)nc2cc(Cl)ccc12
Show InChI InChI=1S/C21H19Cl2N3O3S/c1-30(28,29)10-9-25-16-6-5-13(22)11-15(16)24-18(25)12-26-17-4-2-3-14(23)19(17)21(7-8-21)20(26)27/h2-6,11H,7-10,12H2,1H3
PDB

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n/an/an/an/a 66n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324745
PNG
(1'-({5-Chloro-1-[3- (methylsulfonyl)propyl]-1H- be...)
Show SMILES CS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)nc2cc(Cl)ccc12
Show InChI InChI=1S/C21H21ClN4O3S/c1-30(28,29)10-2-9-25-17-4-3-14(22)11-16(17)24-19(25)13-26-18-12-23-8-5-15(18)21(6-7-21)20(26)27/h3-5,8,11-12H,2,6-7,9-10,13H2,1H3
PDB

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n/an/an/an/a 2n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324748
PNG
(1'-({5,7-Dichloro-1-[2- (methylsulfonyl)ethyl]-1H-...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)nc2cc(Cl)cc(Cl)c12
Show InChI InChI=1S/C20H18Cl2N4O3S/c1-30(28,29)7-6-25-17(24-15-9-12(21)8-14(22)18(15)25)11-26-16-10-23-5-2-13(16)20(3-4-20)19(26)27/h2,5,8-10H,3-4,6-7,11H2,1H3
PDB

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n/an/an/an/a 16.8n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324642
PNG
(1'-({4-Chloro-1-[2- (methylsulfonyl)ethyl]-1H-indo...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2c(Cl)cccc12
Show InChI InChI=1S/C21H20ClN3O3S/c1-29(27,28)10-9-24-14(11-15-17(22)3-2-4-18(15)24)13-25-19-12-23-8-5-16(19)21(6-7-21)20(25)26/h2-5,8,11-12H,6-7,9-10,13H2,1H3
PDB

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n/an/an/an/a 1.67E+3n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324645
PNG
(1'-({5,7-Difluoro-1-[2- (methylsulfonyl)ethyl]-1H-...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(F)cc(F)c12
Show InChI InChI=1S/C21H19F2N3O3S/c1-30(28,29)7-6-25-15(9-13-8-14(22)10-17(23)19(13)25)12-26-18-11-24-5-2-16(18)21(3-4-21)20(26)27/h2,5,8-11H,3-4,6-7,12H2,1H3
PDB

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n/an/an/an/a 24n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324679
PNG
(1'-({5-Chloro-1-[3- (methylsulfinyl)propyl]-1H-ind...)
Show SMILES CS(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C22H22ClN3O2S/c1-29(28)10-2-9-25-17(12-15-11-16(23)3-4-19(15)25)14-26-20-13-24-8-5-18(20)22(6-7-22)21(26)27/h3-5,8,11-13H,2,6-7,9-10,14H2,1H3
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n/an/an/an/a 9n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324687
PNG
(1'-[(5-Chloro-1-{3-[(3-oxopiperazin- 1-yl)sulfonyl...)
Show SMILES Clc1ccc2n(CCCS(=O)(=O)N3CCNC(=O)C3)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C25H26ClN5O4S/c26-18-2-3-21-17(12-18)13-19(15-31-22-14-27-7-4-20(22)25(5-6-25)24(31)33)30(21)9-1-11-36(34,35)29-10-8-28-23(32)16-29/h2-4,7,12-14H,1,5-6,8-11,15-16H2,(H,28,32)
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n/an/an/an/a 7n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324695
PNG
(Ethyl 3-{5-chloro-2-[(2'- oxospiro[cyclopropane-1,...)
Show SMILES CCOC(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C23H22ClN3O3/c1-2-30-21(28)6-10-26-17(12-15-11-16(24)3-4-19(15)26)14-27-20-13-25-9-5-18(20)23(7-8-23)22(27)29/h3-5,9,11-13H,2,6-8,10,14H2,1H3
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n/an/an/an/a 19n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324696
PNG
(1'-({5-Chloro-1-[2-(1,1- dioxidothietan-3-yl)ethyl...)
Show SMILES Clc1cnc2n(CCC3CS(=O)(=O)C3)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C22H21ClN4O3S/c23-16-7-15-8-17(26(20(15)25-9-16)6-2-14-12-31(29,30)13-14)11-27-19-10-24-5-1-18(19)22(3-4-22)21(27)28/h1,5,7-10,14H,2-4,6,11-13H2
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Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324697
PNG
(Ethyl 3-{5-chloro-7-fluoro-2-[(2'- oxospiro[cyclop...)
Show SMILES CCOC(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)cc(F)c12
Show InChI InChI=1S/C23H21ClFN3O3/c1-2-31-20(29)4-8-27-16(10-14-9-15(24)11-18(25)21(14)27)13-28-19-12-26-7-3-17(19)23(5-6-23)22(28)30/h3,7,9-12H,2,4-6,8,13H2,1H3
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n/an/an/an/a 18n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324700
PNG
(1'-({5-Chloro-1-[4-(S- methylsulfonimidoyl)butyl]-...)
Show SMILES CS(=N)(=O)CCCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C22H24ClN5O2S/c1-31(24,30)9-3-2-8-27-17(11-15-10-16(23)12-26-20(15)27)14-28-19-13-25-7-4-18(19)22(5-6-22)21(28)29/h4,7,10-13,24H,2-3,5-6,8-9,14H2,1H3
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n/an/an/an/a 74n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324720
PNG
(1'-[(5-Chloro-1-{3-[(1R,4R)-2,5- diazabicyclo[2.2....)
Show SMILES Clc1ccc2n(CCCS(=O)(=O)N3C[C@H]4C[C@@H]3CN4)c(CN3C(=O)C4(CC4)c4ccncc34)cc2c1
Show InChI InChI=1S/C26H28ClN5O3S/c27-18-2-3-23-17(10-18)11-21(16-31-24-14-28-7-4-22(24)26(5-6-26)25(31)33)30(23)8-1-9-36(34,35)32-15-19-12-20(32)13-29-19/h2-4,7,10-11,14,19-20,29H,1,5-6,8-9,12-13,15-16H2/t19-,20-/m1/s1
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Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324723
PNG
(3-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'- py...)
Show SMILES CNS(=O)(=O)CCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)cnc12
Show InChI InChI=1S/C21H22ClN5O3S/c1-23-31(29,30)8-2-7-26-16(10-14-9-15(22)11-25-19(14)26)13-27-18-12-24-6-3-17(18)21(4-5-21)20(27)28/h3,6,9-12,23H,2,4-5,7-8,13H2,1H3
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Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324732
PNG
(1-(2-{5-Chloro-2-[(2'- oxospiro[cyclopropane-1,3'-...)
Show SMILES NC(=N)NCCn1c(CN2C(=O)C3(CC3)c3ccncc23)cc2cc(Cl)ccc12
Show InChI InChI=1S/C21H21ClN6O/c22-14-1-2-17-13(9-14)10-15(27(17)8-7-26-20(23)24)12-28-18-11-25-6-3-16(18)21(4-5-21)19(28)29/h1-3,6,9-11H,4-5,7-8,12H2,(H4,23,24,26)
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Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324738
PNG
(1'-({6-Chloro-3-[3- (methylsulfonyl)propyl]-1H-ind...)
Show SMILES CS(=O)(=O)CCCc1c(CN2C(=O)C3(CC3)c3ccncc23)[nH]c2cc(Cl)ccc12
Show InChI InChI=1S/C22H22ClN3O3S/c1-30(28,29)10-2-3-15-16-5-4-14(23)11-18(16)25-19(15)13-26-20-12-24-9-6-17(20)22(7-8-22)21(26)27/h4-6,9,11-12,25H,2-3,7-8,10,13H2,1H3
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n/an/an/an/a 6n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324742
PNG
(4'-Bromo-1'-({5-chloro-1-[2- (methylsulfonyl)ethyl...)
Show SMILES CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3c2cccc3Br)nc2cc(Cl)ccc12
Show InChI InChI=1S/C21H19BrClN3O3S/c1-30(28,29)10-9-25-16-6-5-13(23)11-15(16)24-18(25)12-26-17-4-2-3-14(22)19(17)21(7-8-21)20(26)27/h2-6,11H,7-10,12H2,1H3
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n/an/an/an/a 205n/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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


(Human respiratory syncytial virus A (strain A2))
BDBM324752
PNG
(1'-({1-[(3-Aminooxetan-3- yl)methyl]-5-chloro-1H- ...)
Show SMILES NC1(Cn2c(CN3C(=O)C4(CC4)c4ccncc34)nc3cc(Cl)ccc23)COC1
Show InChI InChI=1S/C21H20ClN5O2/c22-13-1-2-16-15(7-13)25-18(27(16)10-20(23)11-29-12-20)9-26-17-8-24-6-3-14(17)21(4-5-21)19(26)28/h1-3,6-8H,4-5,9-12,23H2
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Hoffman-La Roche Inc.

US Patent


Assay Description
To measure anti-RSV activity of compounds, 96-well plates are seeded with 6103 cells per well in Dulbecco's modified Eagle's medium (DMEM) c...


US Patent US10189838 (2019)

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