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Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'yoshida' and Initial = 'i'   
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
Pantetheinase


(Homo sapiens (Human))
BDBM50600535
PNG
(CHEMBL5172300)
Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc(OC(F)(F)F)cc1 |r|
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n/an/a 38n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116791
BindingDB Entry DOI: 10.7270/Q28S4V0W
More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM50600538
PNG
(CHEMBL5178654)
Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc(F)cc1 |r|
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n/an/a 100n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116791
BindingDB Entry DOI: 10.7270/Q28S4V0W
More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM50600539
PNG
(CHEMBL5181854)
Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1cccc(F)c1 |r|
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n/an/a 160n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116791
BindingDB Entry DOI: 10.7270/Q28S4V0W
More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM50600540
PNG
(CHEMBL5173400)
Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccccc1F |r|
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n/an/a 230n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116791
BindingDB Entry DOI: 10.7270/Q28S4V0W
More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM50600536
PNG
(CHEMBL5170185)
Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1cccc(OC(F)(F)F)c1 |r|
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n/an/a 410n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116791
BindingDB Entry DOI: 10.7270/Q28S4V0W
More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM50600532
PNG
(CHEMBL5201071)
Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc(Cl)c(Cl)c1 |r|
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n/an/a 600n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116791
BindingDB Entry DOI: 10.7270/Q28S4V0W
More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM50600529
PNG
(CHEMBL5182223)
Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc(Cl)cc1 |r|
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n/an/a 770n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116791
BindingDB Entry DOI: 10.7270/Q28S4V0W
More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM50600530
PNG
(CHEMBL5188262)
Show SMILES COc1ccc(CC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)cc1 |r|
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n/an/a 770n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116791
BindingDB Entry DOI: 10.7270/Q28S4V0W
More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM50600541
PNG
(CHEMBL5170521)
Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccccc1 |r|
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n/an/a 780n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116791
BindingDB Entry DOI: 10.7270/Q28S4V0W
More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM50600531
PNG
(CHEMBL5205367)
Show SMILES Cc1ccc(CC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)cc1 |r|
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n/an/a 1.24E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116791
BindingDB Entry DOI: 10.7270/Q28S4V0W
More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM50600533
PNG
(CHEMBL5181591)
Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccc2ccccc2c1 |r|
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n/an/a 2.84E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116791
BindingDB Entry DOI: 10.7270/Q28S4V0W
More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM50600534
PNG
(CHEMBL5207940)
Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1cccc2ccccc12 |r|
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n/an/a 6.36E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116791
BindingDB Entry DOI: 10.7270/Q28S4V0W
More data for this
Ligand-Target Pair
Pantetheinase


(Homo sapiens (Human))
BDBM50600537
PNG
(CHEMBL5200225)
Show SMILES CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)Cc1ccccc1OC(F)(F)F |r|
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n/an/a 2.08E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116791
BindingDB Entry DOI: 10.7270/Q28S4V0W
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50541845
PNG
(CHEMBL4638156)
Show SMILES CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCCNc2cc(nc3cc1nn23)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C26H35N7O2/c1-4-21-20-14-25-29-24(32-11-9-18(27)16-32)15-23(33(25)30-20)28-10-5-6-12-35-22-8-7-17(2)13-19(22)26(34)31(21)3/h7-8,13-15,18,21,28H,4-6,9-12,16,27H2,1-3H3/t18-,21-/m0/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human respiratory syncytial virus Fusion protein D486N mutant expressed in Hep2 cells assessed as reduction in virus-induced cytopathic...


ACS Med Chem Lett 11: 1145-1151 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00008
BindingDB Entry DOI: 10.7270/Q2GB27NK
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50541846
PNG
(CHEMBL4632659)
Show SMILES CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCCNc2c(C)c(nc3cc1nn23)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C27H37N7O2/c1-5-22-21-15-24-30-26(33-12-10-19(28)16-33)18(3)25(34(24)31-21)29-11-6-7-13-36-23-9-8-17(2)14-20(23)27(35)32(22)4/h8-9,14-15,19,22,29H,5-7,10-13,16,28H2,1-4H3/t19-,22-/m0/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human respiratory syncytial virus Fusion protein D486N mutant expressed in Hep2 cells assessed as reduction in virus-induced cytopathic...


ACS Med Chem Lett 11: 1145-1151 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00008
BindingDB Entry DOI: 10.7270/Q2GB27NK
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50541847
PNG
(CHEMBL4646870)
Show SMILES CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCCN(C)c2c(C)c(nc3cc1nn23)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C28H39N7O2/c1-6-23-22-16-25-30-26(34-13-11-20(29)17-34)19(3)27(35(25)31-22)32(4)12-7-8-14-37-24-10-9-18(2)15-21(24)28(36)33(23)5/h9-10,15-16,20,23H,6-8,11-14,17,29H2,1-5H3/t20-,23-/m0/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human respiratory syncytial virus Fusion protein D486N mutant expressed in Hep2 cells assessed as reduction in virus-induced cytopathic...


ACS Med Chem Lett 11: 1145-1151 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00008
BindingDB Entry DOI: 10.7270/Q2GB27NK
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50541848
PNG
(CHEMBL4640616)
Show SMILES CN1CCCCOc2ccc(C)cc2C(=O)N2CCCC[C@H]2c2cc3nc(cc1n3n2)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C28H37N7O2/c1-19-8-9-24-21(15-19)28(36)34-12-4-3-7-23(34)22-16-26-30-25(33-13-10-20(29)18-33)17-27(35(26)31-22)32(2)11-5-6-14-37-24/h8-9,15-17,20,23H,3-7,10-14,18,29H2,1-2H3/t20-,23-/m0/s1
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n/an/an/an/a 8.10n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human respiratory syncytial virus Fusion protein D486N mutant expressed in Hep2 cells assessed as reduction in virus-induced cytopathic...


ACS Med Chem Lett 11: 1145-1151 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00008
BindingDB Entry DOI: 10.7270/Q2GB27NK
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50541849
PNG
(GS-5806 | Presatovir)
Show SMILES Cc1cn2nc(cc2nc1N1CC[C@H](N)C1)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1NS(C)(=O)=O |r|
Show InChI InChI=1S/C24H30ClN7O3S/c1-15-13-32-22(27-23(15)30-10-8-17(26)14-30)12-20(28-32)21-5-3-4-9-31(21)24(33)18-11-16(25)6-7-19(18)29-36(2,34)35/h6-7,11-13,17,21,29H,3-5,8-10,14,26H2,1-2H3/t17-,21-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human respiratory syncytial virus A2 Fusion protein expressed in Hep2 cells assessed as reduction in virus-induced cytopathic effect af...


ACS Med Chem Lett 11: 1145-1151 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00008
BindingDB Entry DOI: 10.7270/Q2GB27NK
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50541849
PNG
(GS-5806 | Presatovir)
Show SMILES Cc1cn2nc(cc2nc1N1CC[C@H](N)C1)[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1NS(C)(=O)=O |r|
Show InChI InChI=1S/C24H30ClN7O3S/c1-15-13-32-22(27-23(15)30-10-8-17(26)14-30)12-20(28-32)21-5-3-4-9-31(21)24(33)18-11-16(25)6-7-19(18)29-36(2,34)35/h6-7,11-13,17,21,29H,3-5,8-10,14,26H2,1-2H3/t17-,21-/m0/s1
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n/an/an/an/a 1.19E+3n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human respiratory syncytial virus Fusion protein D486N mutant expressed in Hep2 cells assessed as reduction in virus-induced cytopathic...


ACS Med Chem Lett 11: 1145-1151 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00008
BindingDB Entry DOI: 10.7270/Q2GB27NK
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554856
PNG
(CHEMBL4740044)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(Cl)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@H]1C[C@H](O)C1 |r,wU:34.38,wD:1.0,36.41,(13.73,-43.38,;14.51,-42.05,;15.29,-43.38,;16.82,-43.38,;17.59,-42.04,;16.81,-40.71,;15.27,-40.71,;14.49,-39.38,;12.95,-39.39,;15.26,-38.04,;16.8,-38.04,;17.56,-36.7,;19.1,-36.7,;16.78,-35.37,;15.24,-35.38,;14.48,-36.72,;12.94,-36.73,;11.74,-37.51,;11.5,-35.99,;12.71,-35.03,;10.22,-35.65,;9.47,-37.05,;10.34,-38.05,;9.27,-38.98,;7.94,-38.21,;9.27,-40.52,;7.94,-41.3,;7.94,-42.84,;9.27,-43.6,;10.61,-42.84,;12.08,-43.31,;12.98,-42.06,;12.06,-40.81,;10.6,-41.3,;6.61,-43.61,;6.21,-45.1,;4.73,-44.71,;3.39,-45.48,;5.12,-43.22,)|
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n/an/an/an/a 0.270n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554857
PNG
(CHEMBL4752948)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCCCCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
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n/an/an/an/a 17n/an/an/an/a


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Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554858
PNG
(CHEMBL4750881)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
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n/an/an/an/a 0.330n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554859
PNG
(CHEMBL4747256)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@@H]1C[C@H](N)C1 |r,wU:34.38,36.41,wD:1.0,(37.48,-24.69,;38.26,-23.37,;39.04,-24.7,;40.57,-24.69,;41.34,-23.36,;40.57,-22.03,;39.02,-22.03,;38.25,-20.7,;36.71,-20.71,;39.01,-19.36,;40.55,-19.36,;41.31,-18.02,;42.85,-18.02,;40.54,-16.69,;38.99,-16.7,;38.23,-18.04,;36.69,-18.05,;35.49,-18.83,;35.26,-17.31,;36.4,-16.29,;33.97,-16.96,;33.22,-18.36,;34.09,-19.36,;33.02,-20.3,;31.69,-19.53,;33.02,-21.84,;31.69,-22.62,;31.69,-24.16,;33.02,-24.92,;34.36,-24.16,;35.83,-24.63,;36.73,-23.38,;35.82,-22.13,;34.35,-22.62,;30.36,-24.93,;28.87,-24.54,;28.48,-26.02,;27.15,-26.8,;29.97,-26.42,)|
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n/an/an/an/a 0.870n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554860
PNG
(CHEMBL4757367)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)C1CNC1 |r|
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n/an/an/an/a 1.70n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554861
PNG
(CHEMBL4779491)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)N1CC[C@H](N)C1 |r|
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n/an/an/an/a 2.10n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554862
PNG
(CHEMBL4758615)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)N1CC(C1)NC |r|
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n/an/an/an/a 7n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554863
PNG
(CHEMBL4741045)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)N1CC(N)C1 |r|
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n/an/an/an/a 2.70n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554864
PNG
(CHEMBL4747375)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)N1CC(O)C1 |r|
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n/an/an/an/a 0.810n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554865
PNG
(CHEMBL4761881)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCCS(=O)(=O)CCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
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n/an/an/an/a 4.60n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554866
PNG
(CHEMBL4753413)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCCNCCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
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n/an/an/an/a 1.40n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554867
PNG
(CHEMBL4752460)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)N(C)CCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
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n/an/an/an/a 1.40n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554868
PNG
(CHEMBL4746117)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCS(=O)(=O)NCCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
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n/an/an/an/a 54n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554869
PNG
(CHEMBL4782630)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(NCCN(C)c1cc(nc3cc2nn13)N1CCC1)C(F)(F)F |r|
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n/an/an/an/a 21n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554870
PNG
(CHEMBL4742185)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCCNC(=O)CN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
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n/an/an/an/a 2.5n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554871
PNG
(CHEMBL4756466)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCCOCCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
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n/an/an/an/a 17n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50541848
PNG
(CHEMBL4640616)
Show SMILES CN1CCCCOc2ccc(C)cc2C(=O)N2CCCC[C@H]2c2cc3nc(cc1n3n2)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C28H37N7O2/c1-19-8-9-24-21(15-19)28(36)34-12-4-3-7-23(34)22-16-26-30-25(33-13-10-20(29)18-33)17-27(35(26)31-22)32(2)11-5-6-14-37-24/h8-9,15-17,20,23H,3-7,10-14,18,29H2,1-2H3/t20-,23-/m0/s1
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n/an/an/an/a 2n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554872
PNG
(CHEMBL4751254)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@H]1C[C@H](N)C1 |r,wU:34.38,wD:1.0,36.41,(36.63,-39.84,;37.42,-38.51,;38.19,-39.84,;39.73,-39.84,;40.5,-38.5,;39.72,-37.17,;38.18,-37.17,;37.4,-35.84,;35.86,-35.85,;38.16,-34.51,;39.7,-34.5,;40.47,-33.17,;42.01,-33.16,;39.69,-31.83,;38.14,-31.85,;37.39,-33.18,;35.85,-33.2,;34.64,-33.97,;34.41,-32.46,;35.56,-31.43,;33.13,-32.11,;32.38,-33.51,;33.24,-34.51,;32.18,-35.44,;30.84,-34.67,;32.18,-36.98,;30.85,-37.76,;30.85,-39.3,;32.18,-40.06,;33.51,-39.3,;34.98,-39.77,;35.88,-38.52,;34.97,-37.28,;33.51,-37.76,;29.52,-40.08,;29.12,-41.57,;27.63,-41.17,;26.3,-41.94,;28.03,-39.68,)|
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n/an/an/an/a 1.10n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554873
PNG
(CHEMBL4752524)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@@H]1C[C@H](O)C1 |r,wU:34.38,36.41,wD:1.0,(57.15,-9.85,;57.93,-8.53,;58.71,-9.86,;60.24,-9.85,;61.01,-8.52,;60.24,-7.19,;58.69,-7.19,;57.92,-5.86,;56.38,-5.87,;58.68,-4.52,;60.22,-4.52,;60.98,-3.18,;62.52,-3.18,;60.21,-1.85,;58.66,-1.86,;57.9,-3.2,;56.36,-3.21,;55.16,-3.99,;54.93,-2.47,;56.08,-1.45,;53.64,-2.12,;52.89,-3.52,;53.76,-4.52,;52.69,-5.46,;51.36,-4.69,;52.69,-7,;51.36,-7.78,;51.36,-9.32,;52.69,-10.08,;54.03,-9.32,;55.5,-9.79,;56.4,-8.54,;55.49,-7.29,;54.02,-7.78,;50.03,-10.09,;48.54,-9.7,;48.15,-11.18,;46.82,-11.96,;49.64,-11.58,)|
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n/an/an/an/a 1.10n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554874
PNG
(CHEMBL4746199)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@H]1C[C@H](O)C1 |r,wU:34.38,wD:1.0,36.41,(58.55,-22.17,;59.34,-20.84,;60.11,-22.17,;61.64,-22.17,;62.41,-20.83,;61.64,-19.5,;60.09,-19.5,;59.32,-18.17,;57.78,-18.18,;60.08,-16.83,;61.62,-16.83,;62.38,-15.49,;63.92,-15.49,;61.61,-14.16,;60.06,-14.17,;59.3,-15.51,;57.76,-15.52,;56.56,-16.3,;56.33,-14.79,;57.48,-13.76,;55.04,-14.44,;54.3,-15.84,;55.16,-16.84,;54.09,-17.77,;52.76,-17,;54.09,-19.31,;52.76,-20.09,;52.76,-21.63,;54.09,-22.39,;55.43,-21.63,;56.9,-22.1,;57.8,-20.85,;56.89,-19.61,;55.42,-20.09,;51.43,-22.41,;51.04,-23.89,;49.55,-23.5,;48.22,-24.27,;49.95,-22.01,)|
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n/an/an/an/a 0.740n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554875
PNG
(CHEMBL4765002)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(C)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@H]1C[C@H](O)C1 |r,wU:34.38,wD:1.0,36.41,(80.59,-8.73,;81.38,-7.41,;82.15,-8.74,;83.69,-8.73,;84.46,-7.4,;83.68,-6.07,;82.14,-6.07,;81.36,-4.74,;79.82,-4.75,;82.12,-3.4,;83.66,-3.4,;84.43,-2.06,;85.97,-2.06,;83.65,-.73,;82.1,-.74,;81.35,-2.08,;79.81,-2.09,;78.6,-2.87,;78.37,-1.35,;79.52,-.33,;77.09,-1,;76.34,-2.4,;77.2,-3.4,;76.14,-4.34,;74.8,-3.57,;76.14,-5.88,;74.81,-6.66,;74.81,-8.2,;76.14,-8.96,;77.47,-8.2,;78.94,-8.67,;79.84,-7.42,;78.93,-6.17,;77.46,-6.66,;73.48,-8.97,;73.08,-10.46,;71.59,-10.06,;70.26,-10.84,;71.99,-8.58,)|
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n/an/an/an/a 0.770n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554876
PNG
(CHEMBL4747540)
Show SMILES CN1CCNC(=O)COc2ccc(Cl)cc2C(=O)N2CCCCC2c2cc3nc(cc1n3n2)N1CCC1
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n/an/an/an/a 0.470n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554877
PNG
(CHEMBL4755451)
Show SMILES CN1CCNC(=O)COc2ccc(C)cc2C(=O)N2CCCCC2c2cc3nc(cc1n3n2)N1CCC1
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n/an/an/an/a 0.640n/an/an/an/a


TBA

Assay Description
Inhibition of F protein in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effect incubated ...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554858
PNG
(CHEMBL4750881)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
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n/an/an/an/a 3.10n/an/an/an/a


TBA

Assay Description
Inhibition of F protein D486N mutant in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effe...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50554856
PNG
(CHEMBL4740044)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(Cl)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@H]1C[C@H](O)C1 |r,wU:34.38,wD:1.0,36.41,(13.73,-43.38,;14.51,-42.05,;15.29,-43.38,;16.82,-43.38,;17.59,-42.04,;16.81,-40.71,;15.27,-40.71,;14.49,-39.38,;12.95,-39.39,;15.26,-38.04,;16.8,-38.04,;17.56,-36.7,;19.1,-36.7,;16.78,-35.37,;15.24,-35.38,;14.48,-36.72,;12.94,-36.73,;11.74,-37.51,;11.5,-35.99,;12.71,-35.03,;10.22,-35.65,;9.47,-37.05,;10.34,-38.05,;9.27,-38.98,;7.94,-38.21,;9.27,-40.52,;7.94,-41.3,;7.94,-42.84,;9.27,-43.6,;10.61,-42.84,;12.08,-43.31,;12.98,-42.06,;12.06,-40.81,;10.6,-41.3,;6.61,-43.61,;6.21,-45.1,;4.73,-44.71,;3.39,-45.48,;5.12,-43.22,)|
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n/an/an/an/a 0.700n/an/an/an/a


TBA

Assay Description
Inhibition of F protein D486N mutant in Respiratory syncytial virus A2 infected in HepG2 cells assessed as reduction in virus-induced cytopathic effe...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115818
BindingDB Entry DOI: 10.7270/Q2FT8QQ2
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50541844
PNG
(CHEMBL4648059)
Show SMILES CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCCCCN(C)c2cc(nc3cc1nn23)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C29H41N7O2/c1-5-24-23-17-27-31-26(35-14-12-21(30)19-35)18-28(36(27)32-23)33(3)13-8-6-7-9-15-38-25-11-10-20(2)16-22(25)29(37)34(24)4/h10-11,16-18,21,24H,5-9,12-15,19,30H2,1-4H3/t21-,24-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human respiratory syncytial virus Fusion protein D486N mutant expressed in Hep2 cells assessed as reduction in virus-induced cytopathic...


ACS Med Chem Lett 11: 1145-1151 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00008
BindingDB Entry DOI: 10.7270/Q2GB27NK
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50541843
PNG
(CHEMBL4641371)
Show SMILES CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCCCN(C)c2cc(nc3cc1nn23)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C28H39N7O2/c1-5-23-22-16-26-30-25(34-13-11-20(29)18-34)17-27(35(26)31-22)32(3)12-7-6-8-14-37-24-10-9-19(2)15-21(24)28(36)33(23)4/h9-10,15-17,20,23H,5-8,11-14,18,29H2,1-4H3/t20-,23-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human respiratory syncytial virus Fusion protein D486N mutant expressed in Hep2 cells assessed as reduction in virus-induced cytopathic...


ACS Med Chem Lett 11: 1145-1151 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00008
BindingDB Entry DOI: 10.7270/Q2GB27NK
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50541842
PNG
(CHEMBL4647328)
Show SMILES CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCCN(C)c2cc(nc3cc1nn23)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C27H37N7O2/c1-5-22-21-15-25-29-24(33-12-10-19(28)17-33)16-26(34(25)30-21)31(3)11-6-7-13-36-23-9-8-18(2)14-20(23)27(35)32(22)4/h8-9,14-16,19,22H,5-7,10-13,17,28H2,1-4H3/t19-,22-/m0/s1
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n/an/an/an/a 440n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human respiratory syncytial virus Fusion protein D486N mutant expressed in Hep2 cells assessed as reduction in virus-induced cytopathic...


ACS Med Chem Lett 11: 1145-1151 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00008
BindingDB Entry DOI: 10.7270/Q2GB27NK
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50541841
PNG
(CHEMBL4646240)
Show SMILES CC[C@@H]1N(C)C(=O)c2cc(C)ccc2OCCCN(C)c2cc(nc3cc1nn23)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C26H35N7O2/c1-5-21-20-14-24-28-23(32-11-9-18(27)16-32)15-25(33(24)29-20)30(3)10-6-12-35-22-8-7-17(2)13-19(22)26(34)31(21)4/h7-8,13-15,18,21H,5-6,9-12,16,27H2,1-4H3/t18-,21-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human respiratory syncytial virus Fusion protein D486N mutant expressed in Hep2 cells assessed as reduction in virus-induced cytopathic...


ACS Med Chem Lett 11: 1145-1151 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00008
BindingDB Entry DOI: 10.7270/Q2GB27NK
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM50541840
PNG
(CHEMBL4639630)
Show SMILES CC[C@H](N(C)C(=O)c1cc(C)ccc1OC)c1cc2nc(N3CC[C@H](N)C3)c(C)cn2n1 |r|
Show InChI InChI=1S/C24H32N6O2/c1-6-20(28(4)24(31)18-11-15(2)7-8-21(18)32-5)19-12-22-26-23(16(3)13-30(22)27-19)29-10-9-17(25)14-29/h7-8,11-13,17,20H,6,9-10,14,25H2,1-5H3/t17-,20-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human respiratory syncytial virus Fusion protein D486N mutant expressed in Hep2 cells assessed as reduction in virus-induced cytopathic...


ACS Med Chem Lett 11: 1145-1151 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00008
BindingDB Entry DOI: 10.7270/Q2GB27NK
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50541848
PNG
(CHEMBL4640616)
Show SMILES CN1CCCCOc2ccc(C)cc2C(=O)N2CCCC[C@H]2c2cc3nc(cc1n3n2)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C28H37N7O2/c1-19-8-9-24-21(15-19)28(36)34-12-4-3-7-23(34)22-16-26-30-25(33-13-10-20(29)18-33)17-27(35(26)31-22)32(2)11-5-6-14-37-24/h8-9,15-17,20,23H,3-7,10-14,18,29H2,1-2H3/t20-,23-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Human respiratory syncytial virus A2 Fusion protein expressed in Hep2 cells assessed as reduction in virus-induced cytopathic effect af...


ACS Med Chem Lett 11: 1145-1151 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00008
BindingDB Entry DOI: 10.7270/Q2GB27NK
More data for this
Ligand-Target Pair
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