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Compile Data Set for Download or QSAR

Found 319 hits of ec50 data for polymerid = 50000519,50007584   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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)
BDBM50542668
PNG
(CHEMBL4645289)
Show SMILES COc1ccc(cc1OC)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
Show InChI InChI=1S/C27H24ClN5O3/c1-35-25-8-6-20(15-26(25)36-2)33-23-9-11-30-16-24(23)32(27(33)34)17-21-14-18-13-19(28)5-7-22(18)31(21)12-4-3-10-29/h5-9,11,13-16H,3-4,12,17H2,1-2H3
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n/an/an/an/a 0.100n/an/an/an/a



Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50450579
PNG
(JNJ 2408068 | JNJ-240806 | JNJ-2408068 | R-170591)
Show SMILES Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc3c(C)cccc23)n1
Show InChI InChI=1S/C22H30N6O/c1-15-4-3-5-19-21(15)26-22(25-17-8-11-27(12-9-17)13-10-23)28(19)14-18-20(29)7-6-16(2)24-18/h3-7,17,29H,8-14,23H2,1-2H3,(H,25,26)
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n/an/an/an/a 0.160n/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of RSV Long fusion protein assessed as decrease in virus induced syncytium formation in infected human HeLa/M cells


J Med Chem 61: 10228-10241 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01394
BindingDB Entry DOI: 10.7270/Q2445Q18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542663
PNG
(CHEMBL4647497)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
Show InChI InChI=1S/C26H22ClN5O3S/c1-36(34,35)22-7-5-20(6-8-22)32-24-10-12-29-16-25(24)31(26(32)33)17-21-15-18-14-19(27)4-9-23(18)30(21)13-3-2-11-28/h4-10,12,14-16H,2-3,13,17H2,1H3
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542624
PNG
(CHEMBL4639647)
Show SMILES CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Cl)ccc12
Show InChI InChI=1S/C22H23ClN4O3S/c1-31(29,30)10-2-9-25-18(12-15-11-16(23)3-6-19(15)25)14-26-21-13-24-8-7-20(21)27(22(26)28)17-4-5-17/h3,6-8,11-13,17H,2,4-5,9-10,14H2,1H3
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542631
PNG
(CHEMBL4633144)
Show SMILES Clc1ccc2n(CCCC#N)c(Cn3c4cnccc4n(C4CC4)c3=O)cc2c1
Show InChI InChI=1S/C22H20ClN5O/c23-16-3-6-19-15(11-16)12-18(26(19)10-2-1-8-24)14-27-21-13-25-9-7-20(21)28(22(27)29)17-4-5-17/h3,6-7,9,11-13,17H,1-2,4-5,10,14H2
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542633
PNG
(CHEMBL4642009)
Show SMILES FC(F)(F)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Cl)ccc12
Show InChI InChI=1S/C22H20ClF3N4O/c23-15-2-5-18-14(10-15)11-17(28(18)9-1-7-22(24,25)26)13-29-20-12-27-8-6-19(20)30(21(29)31)16-3-4-16/h2,5-6,8,10-12,16H,1,3-4,7,9,13H2
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542667
PNG
(CHEMBL4635306)
Show SMILES COc1ccc(cc1C)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
Show InChI InChI=1S/C27H24ClN5O2/c1-18-13-21(6-8-26(18)35-2)33-24-9-11-30-16-25(24)32(27(33)34)17-22-15-19-14-20(28)5-7-23(19)31(22)12-4-3-10-29/h5-9,11,13-16H,3-4,12,17H2,1-2H3
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542648
PNG
(CHEMBL4644121)
Show SMILES CC(C)CCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cnccc12
Show InChI InChI=1S/C22H25N5O/c1-15(2)7-10-25-18(11-16-12-23-8-5-19(16)25)14-26-21-13-24-9-6-20(21)27(22(26)28)17-3-4-17/h5-6,8-9,11-13,15,17H,3-4,7,10,14H2,1-2H3
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542647
PNG
(CHEMBL4644338)
Show SMILES FC(F)(F)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cnccc12
Show InChI InChI=1S/C21H20F3N5O/c22-21(23,24)6-1-9-27-16(10-14-11-25-7-4-17(14)27)13-28-19-12-26-8-5-18(19)29(20(28)30)15-2-3-15/h4-5,7-8,10-12,15H,1-3,6,9,13H2
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
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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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)
BDBM50542675
PNG
(CHEMBL4644767)
Show SMILES Fc1cnccc1-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O |(29.27,-3.65,;27.77,-3.33,;27.29,-1.86,;25.79,-1.54,;24.75,-2.69,;25.23,-4.15,;26.73,-4.47,;27.21,-5.93,;28.67,-6.41,;30,-5.63,;31.34,-6.4,;31.34,-7.95,;30.01,-8.72,;28.67,-7.95,;27.21,-8.43,;26.73,-9.89,;25.22,-10.21,;24.08,-9.17,;22.75,-9.94,;21.29,-9.47,;20.14,-10.49,;18.68,-10.02,;20.47,-12,;21.92,-12.47,;23.06,-11.45,;24.59,-11.61,;25.36,-12.95,;26.9,-12.95,;27.67,-14.28,;29.21,-14.29,;30.75,-14.28,;26.3,-7.18,;24.76,-7.18,)|
Show InChI InChI=1S/C24H18ClFN6O/c25-17-3-4-20-16(11-17)12-18(30(20)10-2-1-7-27)15-31-23-14-29-9-6-22(23)32(24(31)33)21-5-8-28-13-19(21)26/h3-6,8-9,11-14H,1-2,10,15H2
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542665
PNG
(CHEMBL4639685)
Show SMILES COc1ccc(cc1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
Show InChI InChI=1S/C26H22ClN5O2/c1-34-22-7-5-20(6-8-22)32-24-10-12-29-16-25(24)31(26(32)33)17-21-15-18-14-19(27)4-9-23(18)30(21)13-3-2-11-28/h4-10,12,14-16H,2-3,13,17H2,1H3
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
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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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)
BDBM50542626
PNG
(CHEMBL4637901)
Show SMILES CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Br)ccc12
Show InChI InChI=1S/C22H23BrN4O3S/c1-31(29,30)10-2-9-25-18(12-15-11-16(23)3-6-19(15)25)14-26-21-13-24-8-7-20(21)27(22(26)28)17-4-5-17/h3,6-8,11-13,17H,2,4-5,9-10,14H2,1H3
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542653
PNG
(CHEMBL4634123)
Show SMILES CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(CC3CC3)c2=O)cc2cc(Cl)ccc12
Show InChI InChI=1S/C23H25ClN4O3S/c1-32(30,31)10-2-9-26-19(12-17-11-18(24)5-6-20(17)26)15-28-22-13-25-8-7-21(22)27(23(28)29)14-16-3-4-16/h5-8,11-13,16H,2-4,9-10,14-15H2,1H3
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
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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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)
BDBM50542661
PNG
(CHEMBL4646241)
Show SMILES OC(=O)c1ccc(cc1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
Show InChI InChI=1S/C26H20ClN5O3/c27-19-5-8-22-18(13-19)14-21(30(22)12-2-1-10-28)16-31-24-15-29-11-9-23(24)32(26(31)35)20-6-3-17(4-7-20)25(33)34/h3-9,11,13-15H,1-2,12,16H2,(H,33,34)
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n/an/an/an/a 0.501n/an/an/an/a



Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542657
PNG
(Jnj-53718678 | Rilematovir)
Show SMILES CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(CC(F)(F)F)c2=O)cc2cc(Cl)ccc12
Show InChI InChI=1S/C21H20ClF3N4O3S/c1-33(31,32)8-2-7-27-16(10-14-9-15(22)3-4-17(14)27)12-28-19-11-26-6-5-18(19)29(20(28)30)13-21(23,24)25/h3-6,9-11H,2,7-8,12-13H2,1H3
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n/an/an/an/a 0.501n/an/an/an/a



Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542651
PNG
(CHEMBL4636246)
Show SMILES CC1(CC1)n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c1=O
Show InChI InChI=1S/C23H25ClN4O3S/c1-23(7-8-23)28-20-6-9-25-14-21(20)27(22(28)29)15-18-13-16-12-17(24)4-5-19(16)26(18)10-3-11-32(2,30)31/h4-6,9,12-14H,3,7-8,10-11,15H2,1-2H3
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n/an/an/an/a 0.501n/an/an/an/a



Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542646
PNG
(CHEMBL4648807)
Show SMILES FCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cnccc12
Show InChI InChI=1S/C21H22FN5O/c22-7-1-2-10-25-17(11-15-12-23-8-5-18(15)25)14-26-20-13-24-9-6-19(20)27(21(26)28)16-3-4-16/h5-6,8-9,11-13,16H,1-4,7,10,14H2
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n/an/an/an/a 0.501n/an/an/an/a



Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542662
PNG
(CHEMBL4639834)
Show SMILES Clc1ccc2n(CCCC#N)c(Cn3c4cnccc4n(-c4ccc(cc4)C(=O)NC4CC4)c3=O)cc2c1
Show InChI InChI=1S/C29H25ClN6O2/c30-21-5-10-25-20(15-21)16-24(34(25)14-2-1-12-31)18-35-27-17-32-13-11-26(27)36(29(35)38)23-8-3-19(4-9-23)28(37)33-22-6-7-22/h3-5,8-11,13,15-17,22H,1-2,6-7,14,18H2,(H,33,37)
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542666
PNG
(CHEMBL4632978)
Show SMILES COc1ccc(c(F)c1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O |(9.04,-20.26,;8.01,-21.41,;8.49,-22.87,;10,-23.2,;10.47,-24.66,;9.43,-25.81,;7.93,-25.49,;6.9,-26.63,;7.45,-24.03,;9.91,-27.27,;11.38,-27.74,;12.71,-26.97,;14.04,-27.73,;14.05,-29.28,;12.71,-30.06,;11.37,-29.28,;9.91,-29.76,;9.43,-31.22,;7.92,-31.54,;6.78,-30.5,;5.45,-31.28,;3.99,-30.8,;2.85,-31.83,;1.38,-31.35,;3.17,-33.33,;4.63,-33.8,;5.76,-32.78,;7.3,-32.94,;8.07,-34.28,;9.61,-34.28,;10.38,-35.62,;11.92,-35.62,;13.46,-35.62,;9.01,-28.51,;7.46,-28.51,)|
Show InChI InChI=1S/C26H21ClFN5O2/c1-35-20-5-7-23(21(28)14-20)33-24-8-10-30-15-25(24)32(26(33)34)16-19-13-17-12-18(27)4-6-22(17)31(19)11-3-2-9-29/h4-8,10,12-15H,2-3,11,16H2,1H3
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n/an/an/an/a 0.631n/an/an/an/a



Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
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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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)
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 0.660n/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))
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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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))
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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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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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)
BDBM50542632
PNG
(CHEMBL4640078)
Show SMILES FCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Cl)ccc12
Show InChI InChI=1S/C22H22ClFN4O/c23-16-3-6-19-15(11-16)12-18(26(19)10-2-1-8-24)14-27-21-13-25-9-7-20(21)28(22(27)29)17-4-5-17/h3,6-7,9,11-13,17H,1-2,4-5,8,10,14H2
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50286846
PNG
(CHEMBL4169507)
Show SMILES CC(C)OC(=O)N1CC2(C1)C(=O)N(Cc1nc3cc(Br)ccc3n1CCCCO)c1ccccc21
Show InChI InChI=1S/C26H29BrN4O4/c1-17(2)35-25(34)29-15-26(16-29)19-7-3-4-8-21(19)31(24(26)33)14-23-28-20-13-18(27)9-10-22(20)30(23)11-5-6-12-32/h3-4,7-10,13,17,32H,5-6,11-12,14-16H2,1-2H3
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n/an/an/an/a 0.800n/an/an/an/a



WuXi AppTec (Shanghai) Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of RSV long strain fusion protein infected in Hep2 cells assessed as reduction in virus-induced cytopathic effect after 5 days by CCK8 ass...


ACS Med Chem Lett 9: 94-97 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00418
BindingDB Entry DOI: 10.7270/Q23F4S6R
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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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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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)
BDBM50542645
PNG
(CHEMBL4639912)
Show SMILES CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cnccc12
Show InChI InChI=1S/C21H23N5O3S/c1-30(28,29)10-2-9-24-17(11-15-12-22-7-5-18(15)24)14-25-20-13-23-8-6-19(20)26(21(25)27)16-3-4-16/h5-8,11-13,16H,2-4,9-10,14H2,1H3
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n/an/an/an/a 1n/an/an/an/a



Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542644
PNG
(CHEMBL4633557)
Show SMILES CC(C)CCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2nc(Cl)ccc12
Show InChI InChI=1S/C21H23ClN6O/c1-13(2)8-10-26-16-5-6-18(22)24-20(16)25-19(26)12-27-17-11-23-9-7-15(17)28(21(27)29)14-3-4-14/h5-7,9,11,13-14H,3-4,8,10,12H2,1-2H3
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542643
PNG
(CHEMBL4641189)
Show SMILES FC(F)(F)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2nc(Cl)ccc12
Show InChI InChI=1S/C20H18ClF3N6O/c21-16-5-4-14-18(26-16)27-17(28(14)9-1-7-20(22,23)24)11-29-15-10-25-8-6-13(15)30(19(29)31)12-2-3-12/h4-6,8,10,12H,1-3,7,9,11H2
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50450572
PNG
(CHEMBL4164975)
Show SMILES Cc1ccc2nc(cc(NCCCN)c2c1)N1CCS(=O)(=O)c2ccccc2C1
Show InChI InChI=1S/C22H26N4O2S/c1-16-7-8-19-18(13-16)20(24-10-4-9-23)14-22(25-19)26-11-12-29(27,28)21-6-3-2-5-17(21)15-26/h2-3,5-8,13-14H,4,9-12,15,23H2,1H3,(H,24,25)
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of RSV Long fusion protein assessed as protection against virus induced cytopathic effect in infected human Hep2 cells after 5 days by CCK...


J Med Chem 61: 10228-10241 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01394
BindingDB Entry DOI: 10.7270/Q2445Q18
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542669
PNG
(CHEMBL4646649)
Show SMILES COc1ccc(c(C)c1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O |(57.69,-18.88,;56.66,-20.03,;57.13,-21.49,;58.64,-21.82,;59.11,-23.28,;58.08,-24.42,;56.58,-24.11,;55.55,-25.25,;56.1,-22.64,;58.56,-25.88,;60.02,-26.36,;61.35,-25.59,;62.68,-26.35,;62.69,-27.9,;61.35,-28.67,;60.02,-27.9,;58.55,-28.38,;58.07,-29.84,;56.57,-30.16,;55.42,-29.12,;54.09,-29.89,;52.63,-29.42,;51.49,-30.44,;50.03,-29.97,;51.81,-31.95,;53.27,-32.42,;54.41,-31.4,;55.94,-31.56,;56.71,-32.9,;58.25,-32.9,;59.02,-34.23,;60.56,-34.24,;62.1,-34.23,;57.65,-27.13,;56.11,-27.13,)|
Show InChI InChI=1S/C27H24ClN5O2/c1-18-13-22(35-2)6-8-23(18)33-25-9-11-30-16-26(25)32(27(33)34)17-21-15-19-14-20(28)5-7-24(19)31(21)12-4-3-10-29/h5-9,11,13-16H,3-4,12,17H2,1-2H3
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50277049
PNG
(CHEMBL4169195)
Show SMILES CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCC(O)C(F)(F)F)c2cnccc12
Show InChI InChI=1S/C19H17ClF3N5O3S/c1-32(30,31)18-12-4-6-24-9-15(12)28(26-18)10-17-25-13-8-11(20)2-3-14(13)27(17)7-5-16(29)19(21,22)23/h2-4,6,8-9,16,29H,5,7,10H2,1H3
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Roche Innovation Center Shanghai

Curated by ChEMBL


Assay Description
Inhibition of Respiratory syncytial virus Long fusion glycoprotein infected in Hep2 cells assessed as reduction in virus-induced cytopathic effect af...


Eur J Med Chem 138: 1147-1157 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.032
BindingDB Entry DOI: 10.7270/Q2V127BV
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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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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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)
BDBM50542625
PNG
(CHEMBL4642110)
Show SMILES OCCCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)cc2cc(Br)ccc12
Show InChI InChI=1S/C22H23BrN4O2/c23-16-3-6-19-15(11-16)12-18(25(19)9-1-2-10-28)14-26-21-13-24-8-7-20(21)27(22(26)29)17-4-5-17/h3,6-8,11-13,17,28H,1-2,4-5,9-10,14H2
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n/an/an/an/a 1.30n/an/an/an/a



Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542660
PNG
(CHEMBL4643568)
Show SMILES Cc1ccc(cc1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
Show InChI InChI=1S/C26H22ClN5O/c1-18-4-7-21(8-5-18)32-24-10-12-29-16-25(24)31(26(32)33)17-22-15-19-14-20(27)6-9-23(19)30(22)13-3-2-11-28/h4-10,12,14-16H,2-3,13,17H2,1H3
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542664
PNG
(CHEMBL4641591)
Show SMILES FC(F)(F)Oc1ccc(cc1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
Show InChI InChI=1S/C26H19ClF3N5O2/c27-18-3-8-22-17(13-18)14-20(33(22)12-2-1-10-31)16-34-24-15-32-11-9-23(24)35(25(34)36)19-4-6-21(7-5-19)37-26(28,29)30/h3-9,11,13-15H,1-2,12,16H2
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
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))
BDBM50554866
PNG
(CHEMBL4753413)
Show SMILES [H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCCNCCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
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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)
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 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)
BDBM50542656
PNG
(CHEMBL4648250)
Show SMILES CS(=O)(=O)CCCn1c(Cn2c3cnccc3n(C3CN(C3)S(C)(=O)=O)c2=O)cc2cc(Cl)ccc12
Show InChI InChI=1S/C23H26ClN5O5S2/c1-35(31,32)9-3-8-27-18(11-16-10-17(24)4-5-20(16)27)15-28-22-12-25-7-6-21(22)29(23(28)30)19-13-26(14-19)36(2,33)34/h4-7,10-12,19H,3,8-9,13-15H2,1-2H3
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n/an/an/an/a 1.60n/an/an/an/a



Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542650
PNG
(CHEMBL4649847)
Show SMILES CC(C)n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCS(C)(=O)=O)c1=O
Show InChI InChI=1S/C22H25ClN4O3S/c1-15(2)27-20-7-8-24-13-21(20)26(22(27)28)14-18-12-16-11-17(23)5-6-19(16)25(18)9-4-10-31(3,29)30/h5-8,11-13,15H,4,9-10,14H2,1-3H3
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542673
PNG
(CHEMBL4634198)
Show SMILES Cn1ccc(n1)-n1c2ccncc2n(Cc2cc3cc(Cl)ccc3n2CCCC#N)c1=O
Show InChI InChI=1S/C23H20ClN7O/c1-28-11-7-22(27-28)31-20-6-9-26-14-21(20)30(23(31)32)15-18-13-16-12-17(24)4-5-19(16)29(18)10-3-2-8-25/h4-7,9,11-14H,2-3,10,15H2,1H3
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus)
BDBM50542640
PNG
(CHEMBL4647299)
Show SMILES CC(C)(O)CCCn1c(Cn2c3cnccc3n(C3CC3)c2=O)nc2nc(Cl)ccc12
Show InChI InChI=1S/C22H25ClN6O2/c1-22(2,31)9-3-11-27-16-6-7-18(23)25-20(16)26-19(27)13-28-17-12-24-10-8-15(17)29(21(28)30)14-4-5-14/h6-8,10,12,14,31H,3-5,9,11,13H2,1-2H3
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Janssen Pharmaceutical Companies of Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of GFP-fused RSV 224 fusion protein infected in human HeLa cells assessed as reduction in viral replication after 3 days by laser microsco...


J Med Chem 63: 8046-8058 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00226
BindingDB Entry DOI: 10.7270/Q27H1P5V
More data for this
Ligand-Target Pair
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