Found 33 hits of ec50 for UniProtKB: P03428 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507229
(CHEMBL4593027)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2sccc12)-c1n[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(24.37,-19.32,;25.71,-20.08,;27.04,-19.3,;25.72,-21.62,;27.07,-22.39,;27.08,-23.94,;25.74,-24.71,;24.41,-23.95,;25.17,-22.66,;26.29,-23.57,;24.4,-22.4,;23.07,-21.65,;21.76,-22.43,;22.24,-23.88,;21.22,-25.02,;19.71,-24.72,;19.23,-23.26,;17.82,-22.64,;17.98,-21.11,;19.49,-20.79,;20.26,-22.12,;21.7,-26.47,;20.8,-27.73,;21.71,-28.97,;23.18,-28.49,;24.52,-29.26,;25.85,-28.49,;25.85,-26.93,;27.18,-26.16,;24.51,-26.17,;23.17,-26.95,)| Show InChI InChI=1S/C21H19FN6O2S/c22-11-7-13-16(27-28-17(13)23-8-11)19-25-18(12-5-6-31-20(12)26-19)24-15-10-3-1-9(2-4-10)14(15)21(29)30/h5-10,14-15H,1-4H2,(H,29,30)(H,23,27,28)(H,24,25,26)/t9?,10?,14-,15-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507230
(CHEMBL4472219)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2CCSc12)-c1n[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(37.95,-18.53,;39.29,-19.29,;40.62,-18.51,;39.3,-20.84,;40.65,-21.6,;40.66,-23.15,;39.32,-23.93,;37.99,-23.17,;38.75,-21.88,;39.87,-22.78,;37.98,-21.62,;36.65,-20.87,;35.34,-21.64,;35.82,-23.09,;34.8,-24.23,;33.29,-23.93,;32.81,-22.48,;31.4,-21.85,;31.56,-20.32,;33.07,-20,;33.84,-21.33,;35.28,-25.69,;34.38,-26.94,;35.29,-28.19,;36.76,-27.7,;38.1,-28.47,;39.43,-27.7,;39.43,-26.15,;40.76,-25.37,;38.09,-25.38,;36.75,-26.16,)| Show InChI InChI=1S/C21H21FN6O2S/c22-11-7-12-16(27-28-18(12)23-8-11)19-24-13-5-6-31-17(13)20(26-19)25-15-10-3-1-9(2-4-10)14(15)21(29)30/h7-10,14-15H,1-6H2,(H,29,30)(H,23,27,28)(H,24,25,26)/t9?,10?,14-,15-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507246
(CHEMBL4568323)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2sccc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(10.89,-44.11,;12.22,-44.87,;13.56,-44.09,;12.24,-46.42,;13.58,-47.18,;13.59,-48.73,;12.26,-49.51,;10.93,-48.75,;11.69,-47.46,;12.81,-48.36,;10.92,-47.2,;9.59,-46.45,;8.27,-47.22,;8.75,-48.67,;7.73,-49.81,;6.23,-49.52,;5.74,-48.06,;4.34,-47.43,;4.5,-45.9,;6.01,-45.58,;6.77,-46.91,;8.21,-51.27,;7.31,-52.52,;8.22,-53.77,;9.69,-53.28,;11.03,-54.05,;12.37,-53.28,;12.36,-51.73,;13.7,-50.95,;11.03,-50.96,;9.68,-51.74,)| Show InChI InChI=1S/C22H20FN5O2S/c23-12-7-14-15(9-25-18(14)24-8-12)20-27-19(13-5-6-31-21(13)28-20)26-17-11-3-1-10(2-4-11)16(17)22(29)30/h5-11,16-17H,1-4H2,(H,24,25)(H,29,30)(H,26,27,28)/t10?,11?,16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507247
(CHEMBL4570851)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2CCSc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(25.29,-44.5,;26.63,-45.27,;27.96,-44.48,;26.64,-46.81,;27.99,-47.58,;28,-49.12,;26.66,-49.9,;25.33,-49.14,;26.09,-47.85,;27.21,-48.75,;25.32,-47.59,;23.99,-46.84,;22.68,-47.62,;23.15,-49.07,;22.13,-50.2,;20.63,-49.91,;20.15,-48.45,;18.74,-47.82,;18.9,-46.29,;20.41,-45.97,;21.18,-47.31,;22.62,-51.66,;21.72,-52.91,;22.63,-54.16,;24.09,-53.68,;25.43,-54.45,;26.77,-53.68,;26.76,-52.12,;28.1,-51.34,;25.43,-51.36,;24.09,-52.13,)| Show InChI InChI=1S/C22H22FN5O2S/c23-12-7-13-14(9-25-19(13)24-8-12)20-26-15-5-6-31-18(15)21(28-20)27-17-11-3-1-10(2-4-11)16(17)22(29)30/h7-11,16-17H,1-6H2,(H,24,25)(H,29,30)(H,26,27,28)/t10?,11?,16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507228
(CHEMBL4434862)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2ccsc12)-c1n[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(9.79,-17.85,;11.13,-18.61,;12.46,-17.83,;11.14,-20.16,;12.49,-20.92,;12.5,-22.47,;11.16,-23.25,;9.83,-22.49,;10.59,-21.2,;11.71,-22.1,;9.82,-20.94,;8.49,-20.19,;7.18,-20.96,;7.65,-22.41,;6.63,-23.55,;5.13,-23.25,;4.65,-21.8,;3.24,-21.17,;3.4,-19.64,;4.91,-19.32,;5.68,-20.65,;7.12,-25.01,;6.22,-26.26,;7.13,-27.51,;8.59,-27.02,;9.93,-27.79,;11.27,-27.02,;11.26,-25.47,;12.6,-24.69,;9.93,-24.7,;8.59,-25.48,)| Show InChI InChI=1S/C21H19FN6O2S/c22-11-7-12-16(27-28-18(12)23-8-11)19-24-13-5-6-31-17(13)20(26-19)25-15-10-3-1-9(2-4-10)14(15)21(29)30/h5-10,14-15H,1-4H2,(H,29,30)(H,23,27,28)(H,24,25,26)/t9?,10?,14-,15-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507245
(CHEMBL4466462)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2ccsc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(65.82,-30.1,;67.16,-30.86,;68.49,-30.08,;67.17,-32.4,;68.52,-33.17,;68.53,-34.72,;67.19,-35.5,;65.86,-34.74,;66.62,-33.44,;67.74,-34.35,;65.85,-33.19,;64.52,-32.44,;63.21,-33.21,;63.69,-34.66,;62.67,-35.8,;61.16,-35.5,;60.68,-34.05,;59.27,-33.42,;59.43,-31.89,;60.94,-31.57,;61.71,-32.9,;63.15,-37.25,;62.25,-38.51,;63.16,-39.76,;64.63,-39.27,;65.97,-40.04,;67.3,-39.27,;67.3,-37.72,;68.63,-36.94,;65.96,-36.95,;64.62,-37.73,)| Show InChI InChI=1S/C22H20FN5O2S/c23-12-7-13-14(9-25-19(13)24-8-12)20-26-15-5-6-31-18(15)21(28-20)27-17-11-3-1-10(2-4-11)16(17)22(29)30/h5-11,16-17H,1-4H2,(H,24,25)(H,29,30)(H,26,27,28)/t10?,11?,16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50050712
(CHEMBL3318007)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(15.61,-25.66,;14.11,-26.02,;13.05,-24.9,;13.67,-27.49,;14.73,-28.62,;14.29,-30.09,;12.8,-30.45,;11.74,-29.34,;12.83,-28.23,;13.22,-29.72,;12.18,-27.86,;11.12,-26.75,;9.63,-27.1,;9.19,-28.58,;7.69,-28.94,;6.63,-27.82,;7.06,-26.35,;8.56,-25.99,;9,-24.51,;7.25,-30.41,;8.2,-31.63,;7.32,-32.91,;5.84,-32.47,;4.53,-33.27,;3.18,-32.54,;3.14,-31,;1.79,-30.27,;4.45,-30.19,;5.8,-30.93,)| Show InChI InChI=1S/C20H19F2N5O2/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20(28)29/h5-10,15-16H,1-4H2,(H,23,24)(H,28,29)(H,25,26,27)/t9?,10?,15-,16-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507248
(CHEMBL4547565)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2cscc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(78.87,-30.04,;80.2,-30.81,;81.54,-30.02,;80.22,-32.35,;81.56,-33.12,;81.57,-34.66,;80.24,-35.44,;78.91,-34.68,;79.67,-33.39,;80.79,-34.29,;78.9,-33.13,;77.57,-32.38,;76.25,-33.16,;76.73,-34.61,;75.71,-35.75,;74.21,-35.45,;73.72,-33.99,;72.32,-33.36,;72.48,-31.83,;73.99,-31.51,;74.75,-32.85,;76.19,-37.2,;75.29,-38.45,;76.2,-39.7,;77.67,-39.22,;79.01,-39.99,;80.35,-39.22,;80.34,-37.66,;81.68,-36.88,;79.01,-36.9,;77.66,-37.67,)| Show InChI InChI=1S/C22H20FN5O2S/c23-12-5-13-14(7-25-19(13)24-6-12)20-26-16-9-31-8-15(16)21(28-20)27-18-11-3-1-10(2-4-11)17(18)22(29)30/h5-11,17-18H,1-4H2,(H,24,25)(H,29,30)(H,26,27,28)/t10?,11?,17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507251
(CHEMBL4469158)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2CSCc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(41.42,-45.38,;42.75,-46.14,;44.09,-45.36,;42.77,-47.68,;44.11,-48.45,;44.12,-50,;42.79,-50.77,;41.46,-50.01,;42.22,-48.72,;43.34,-49.63,;41.45,-48.46,;40.12,-47.71,;38.8,-48.49,;39.28,-49.94,;38.26,-51.08,;36.76,-50.78,;36.27,-49.33,;34.87,-48.7,;35.03,-47.17,;36.54,-46.85,;37.3,-48.18,;38.74,-52.53,;37.84,-53.79,;38.75,-55.03,;40.22,-54.55,;41.56,-55.32,;42.9,-54.55,;42.89,-52.99,;44.23,-52.22,;41.56,-52.23,;40.21,-53.01,)| Show InChI InChI=1S/C22H22FN5O2S/c23-12-5-13-14(7-25-19(13)24-6-12)20-26-16-9-31-8-15(16)21(28-20)27-18-11-3-1-10(2-4-11)17(18)22(29)30/h5-7,10-11,17-18H,1-4,8-9H2,(H,24,25)(H,29,30)(H,26,27,28)/t10?,11?,17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507223
(CHEMBL4470294)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2SCCc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(54.38,-44.92,;55.71,-45.68,;57.05,-44.9,;55.72,-47.22,;57.07,-47.99,;57.08,-49.54,;55.75,-50.32,;54.41,-49.56,;55.18,-48.26,;56.29,-49.17,;54.41,-48.01,;53.08,-47.26,;51.76,-48.03,;52.24,-49.48,;51.22,-50.62,;49.72,-50.32,;49.23,-48.87,;47.83,-48.24,;47.99,-46.71,;49.49,-46.39,;50.26,-47.72,;51.7,-52.07,;50.8,-53.33,;51.71,-54.58,;53.18,-54.09,;54.52,-54.86,;55.85,-54.09,;55.85,-52.54,;57.18,-51.76,;54.51,-51.77,;53.17,-52.55,)| Show InChI InChI=1S/C22H22FN5O2S/c23-12-7-14-15(9-25-18(14)24-8-12)20-27-19(13-5-6-31-21(13)28-20)26-17-11-3-1-10(2-4-11)16(17)22(29)30/h7-11,16-17H,1-6H2,(H,24,25)(H,29,30)(H,26,27,28)/t10?,11?,16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507241
(CHEMBL4435833)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2scnc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(52.81,-30.57,;54.14,-31.33,;55.48,-30.55,;54.15,-32.87,;55.5,-33.64,;55.51,-35.19,;54.18,-35.96,;52.84,-35.2,;53.61,-33.91,;54.73,-34.82,;52.84,-33.65,;51.51,-32.9,;50.19,-33.68,;50.67,-35.13,;49.65,-36.27,;48.15,-35.97,;47.66,-34.52,;46.26,-33.89,;46.42,-32.36,;47.92,-32.04,;48.69,-33.37,;50.13,-37.72,;49.23,-38.98,;50.14,-40.22,;51.61,-39.74,;52.95,-40.51,;54.28,-39.74,;54.28,-38.18,;55.61,-37.41,;52.95,-37.42,;51.6,-38.2,)| Show InChI InChI=1S/C21H19FN6O2S/c22-11-5-12-13(7-24-17(12)23-6-11)18-27-19(16-20(28-18)31-8-25-16)26-15-10-3-1-9(2-4-10)14(15)21(29)30/h5-10,14-15H,1-4H2,(H,23,24)(H,29,30)(H,26,27,28)/t9?,10?,14-,15-/m0/s1 | PDB
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UniChem
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| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507225
(CHEMBL4444973)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2c(csc12)C#N)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(68.54,-43.82,;69.88,-44.58,;71.22,-43.8,;69.89,-46.12,;71.24,-46.89,;71.25,-48.44,;69.92,-49.22,;68.58,-48.46,;69.35,-47.16,;70.46,-48.07,;68.58,-46.91,;67.24,-46.16,;65.93,-46.93,;66.41,-48.38,;65.39,-49.52,;63.89,-49.22,;63.4,-47.77,;61.99,-47.14,;62.16,-45.61,;63.66,-45.29,;64.43,-46.62,;60.67,-47.9,;59.35,-48.67,;65.87,-50.97,;64.97,-52.23,;65.88,-53.48,;67.35,-52.99,;68.69,-53.76,;70.02,-52.99,;70.02,-51.44,;71.35,-50.66,;68.68,-50.67,;67.34,-51.45,)| Show InChI InChI=1S/C23H19FN6O2S/c24-13-5-14-15(8-27-20(14)26-7-13)21-29-18-12(6-25)9-33-19(18)22(30-21)28-17-11-3-1-10(2-4-11)16(17)23(31)32/h5,7-11,16-17H,1-4H2,(H,26,27)(H,31,32)(H,28,29,30)/t10?,11?,16-,17-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507242
(CHEMBL4529778)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2[nH]ccc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(11.4,-30.28,;12.73,-31.05,;14.07,-30.26,;12.74,-32.59,;14.09,-33.36,;14.1,-34.9,;12.77,-35.68,;11.44,-34.92,;12.2,-33.63,;13.32,-34.53,;11.43,-33.37,;10.1,-32.62,;8.78,-33.4,;9.26,-34.85,;8.24,-35.98,;6.74,-35.69,;6.25,-34.23,;4.85,-33.6,;5.01,-32.07,;6.51,-31.75,;7.28,-33.09,;8.72,-37.44,;7.82,-38.69,;8.73,-39.94,;10.2,-39.46,;11.54,-40.23,;12.87,-39.45,;12.87,-37.9,;14.21,-37.12,;11.54,-37.14,;10.19,-37.91,)| Show InChI InChI=1S/C22H21FN6O2/c23-12-7-14-15(9-26-18(14)25-8-12)21-28-19-13(5-6-24-19)20(29-21)27-17-11-3-1-10(2-4-11)16(17)22(30)31/h5-11,16-17H,1-4H2,(H,25,26)(H,30,31)(H2,24,27,28,29)/t10?,11?,16-,17-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507240
(CHEMBL4468219)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2ccoc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(79.05,-17.09,;80.38,-17.85,;81.72,-17.07,;80.4,-19.4,;81.74,-20.17,;81.75,-21.71,;80.42,-22.49,;79.09,-21.73,;79.85,-20.44,;80.97,-21.34,;79.08,-20.18,;77.75,-19.43,;76.43,-20.21,;76.91,-21.66,;75.89,-22.79,;74.39,-22.5,;73.9,-21.04,;72.5,-20.41,;72.66,-18.88,;74.17,-18.56,;74.94,-19.9,;76.38,-24.25,;75.47,-25.5,;76.39,-26.75,;77.85,-26.26,;79.19,-27.04,;80.53,-26.26,;80.52,-24.71,;81.86,-23.93,;79.19,-23.94,;77.85,-24.72,)| Show InChI InChI=1S/C22H20FN5O3/c23-12-7-13-14(9-25-19(13)24-8-12)20-26-15-5-6-31-18(15)21(28-20)27-17-11-3-1-10(2-4-11)16(17)22(29)30/h5-11,16-17H,1-4H2,(H,24,25)(H,29,30)(H,26,27,28)/t10?,11?,16-,17-/m0/s1 | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507239
(CHEMBL4469921)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2CCCc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(39.68,-30.75,;41.02,-31.51,;42.35,-30.73,;41.03,-33.05,;42.38,-33.82,;42.39,-35.37,;41.05,-36.15,;39.72,-35.39,;40.48,-34.1,;41.6,-35,;39.71,-33.84,;38.38,-33.09,;37.07,-33.86,;37.54,-35.31,;36.52,-36.45,;35.02,-36.15,;34.54,-34.7,;33.13,-34.07,;33.29,-32.54,;34.8,-32.22,;35.57,-33.55,;37.01,-37.9,;36.11,-39.16,;37.02,-40.41,;38.48,-39.92,;39.82,-40.69,;41.16,-39.92,;41.15,-38.37,;42.49,-37.59,;39.82,-37.6,;38.48,-38.38,)| Show InChI InChI=1S/C23H24FN5O2/c24-13-8-15-16(10-26-20(15)25-9-13)22-27-17-3-1-2-14(17)21(29-22)28-19-12-6-4-11(5-7-12)18(19)23(30)31/h8-12,18-19H,1-7H2,(H,25,26)(H,30,31)(H,27,28,29)/t11?,12?,18-,19-/m0/s1 | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.5 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507222
(CHEMBL4459959)Show SMILES Cn1cc(F)c2c(N[C@H]3C4CCC(CC4)[C@@H]3C(O)=O)nc(nc12)-c1c[nH]c2ncc(F)cc12 |r,wU:15.17,wD:8.7,(19.15,-35.75,;20.47,-34.99,;20.63,-33.46,;22.14,-33.14,;22.76,-31.74,;22.91,-34.47,;24.41,-34.78,;25.72,-34,;27.05,-34.75,;27.06,-36.31,;28.39,-37.06,;29.73,-36.29,;29.72,-34.74,;28.94,-35.92,;27.82,-35.01,;28.37,-33.97,;28.36,-32.43,;27.02,-31.67,;29.69,-31.65,;24.88,-36.23,;23.86,-37.37,;22.36,-37.07,;21.88,-35.62,;24.35,-38.82,;23.45,-40.08,;24.36,-41.33,;25.82,-40.84,;27.16,-41.61,;28.5,-40.84,;28.49,-39.29,;29.83,-38.51,;27.16,-38.52,;25.82,-39.3,)| Show InChI InChI=1S/C23H22F2N6O2/c1-31-9-15(25)17-21(28-18-11-4-2-10(3-5-11)16(18)23(32)33)29-20(30-22(17)31)14-8-27-19-13(14)6-12(24)7-26-19/h6-11,16,18H,2-5H2,1H3,(H,26,27)(H,32,33)(H,28,29,30)/t10?,11?,16-,18-/m0/s1 | PDB
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.60 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507249
(CHEMBL4567115)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2cc(sc12)C(F)F)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(82.44,-44.29,;83.78,-45.06,;85.11,-44.27,;83.79,-46.6,;85.14,-47.37,;85.15,-48.91,;83.81,-49.69,;82.48,-48.93,;83.24,-47.64,;84.36,-48.54,;82.47,-47.38,;81.14,-46.63,;79.83,-47.41,;80.3,-48.86,;79.28,-50,;77.78,-49.7,;77.3,-48.24,;75.89,-47.62,;76.05,-46.08,;77.56,-45.76,;78.33,-47.1,;74.92,-45.06,;75.24,-43.57,;73.46,-45.53,;79.77,-51.45,;78.87,-52.71,;79.78,-53.95,;81.24,-53.47,;82.58,-54.24,;83.92,-53.47,;83.91,-51.91,;85.25,-51.14,;82.58,-51.15,;81.24,-51.93,)| Show InChI InChI=1S/C23H20F3N5O2S/c24-11-5-12-13(8-28-20(12)27-7-11)21-29-14-6-15(19(25)26)34-18(14)22(31-21)30-17-10-3-1-9(2-4-10)16(17)23(32)33/h5-10,16-17,19H,1-4H2,(H,27,28)(H,32,33)(H,29,30,31)/t9?,10?,16-,17-/m0/s1 | PDB
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| PC cid
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| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507244
(CHEMBL4524775)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2cc(F)cnc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(37.77,-16.56,;39.11,-17.32,;40.45,-16.54,;39.13,-18.87,;40.47,-19.64,;40.49,-21.19,;39.15,-21.97,;37.81,-21.21,;38.58,-19.91,;39.7,-20.82,;37.81,-19.65,;36.47,-18.9,;35.16,-19.68,;35.64,-21.13,;34.61,-22.27,;33.11,-21.97,;32.63,-20.51,;31.14,-20.2,;30.65,-18.75,;29.16,-18.44,;31.68,-17.6,;33.18,-17.91,;33.66,-19.37,;35.1,-23.73,;34.2,-24.98,;35.11,-26.23,;36.58,-25.75,;37.92,-26.52,;39.26,-25.75,;39.25,-24.19,;40.59,-23.41,;37.92,-23.42,;36.57,-24.2,)| Show InChI InChI=1S/C23H20F2N6O2/c24-12-5-14-15(9-28-20(14)27-8-12)21-29-16-6-13(25)7-26-19(16)22(31-21)30-18-11-3-1-10(2-4-11)17(18)23(32)33/h5-11,17-18H,1-4H2,(H,27,28)(H,32,33)(H,29,30,31)/t10?,11?,17-,18-/m0/s1 | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507236
(CHEMBL4530239)Show SMILES Cc1cccc2nc(nc(N[C@H]3C4CCC(CC4)[C@@H]3C(O)=O)c12)-c1c[nH]c2ncc(F)cc12 |r,wU:18.20,wD:11.10,(20.41,-17.61,;19.38,-18.76,;17.88,-18.44,;16.85,-19.59,;17.33,-21.05,;18.83,-21.36,;19.31,-22.83,;20.82,-23.13,;21.84,-21.98,;21.36,-20.53,;22.68,-19.75,;24.02,-20.5,;24.03,-22.06,;25.37,-22.82,;26.71,-22.04,;26.7,-20.49,;25.92,-21.67,;24.79,-20.76,;25.34,-19.72,;25.33,-18.16,;23.99,-17.4,;26.67,-17.38,;19.86,-20.22,;21.31,-24.59,;20.4,-25.85,;21.32,-27.1,;22.79,-26.61,;24.13,-27.39,;25.47,-26.61,;25.47,-25.05,;26.81,-24.27,;24.13,-24.28,;22.78,-25.06,)| Show InChI InChI=1S/C25H24FN5O2/c1-12-3-2-4-18-19(12)24(30-21-14-7-5-13(6-8-14)20(21)25(32)33)31-23(29-18)17-11-28-22-16(17)9-15(26)10-27-22/h2-4,9-11,13-14,20-21H,5-8H2,1H3,(H,27,28)(H,32,33)(H,29,30,31)/t13?,14?,20-,21-/m0/s1 | PDB
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| PC cid
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| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507243
(CHEMBL4522400)Show SMILES Cc1cnc2c(N[C@H]3C4CCC(CC4)[C@@H]3C(O)=O)nc(nc2c1)-c1c[nH]c2ncc(F)cc12 |r,wU:14.16,wD:7.6,(2.58,-19.43,;4.08,-19.74,;5.1,-18.59,;6.61,-18.9,;7.08,-20.36,;8.58,-20.67,;9.9,-19.89,;11.23,-20.64,;11.24,-22.2,;12.57,-22.96,;13.91,-22.18,;13.9,-20.63,;13.12,-21.81,;12,-20.9,;12.55,-19.86,;12.54,-18.31,;11.2,-17.55,;13.88,-17.53,;9.06,-22.12,;8.04,-23.26,;6.53,-22.97,;6.05,-21.5,;4.56,-21.19,;8.52,-24.72,;7.62,-25.98,;8.53,-27.23,;10,-26.74,;11.34,-27.51,;12.68,-26.74,;12.68,-25.18,;14.02,-24.4,;11.34,-24.41,;10,-25.19,)| Show InChI InChI=1S/C24H23FN6O2/c1-11-6-17-20(26-8-11)23(30-19-13-4-2-12(3-5-13)18(19)24(32)33)31-22(29-17)16-10-28-21-15(16)7-14(25)9-27-21/h6-10,12-13,18-19H,2-5H2,1H3,(H,27,28)(H,32,33)(H,29,30,31)/t12?,13?,18-,19-/m0/s1 | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507250
(CHEMBL4562249)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1n1ccc2cnc(nc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(18.43,-2.23,;19.77,-2.99,;21.1,-2.21,;19.78,-4.52,;21.12,-5.29,;21.13,-6.83,;19.8,-7.61,;18.47,-6.85,;19.23,-5.56,;20.35,-6.46,;18.47,-5.3,;17.16,-4.55,;16.12,-3.41,;14.71,-4.05,;14.89,-5.58,;13.86,-6.73,;14.34,-8.19,;15.84,-8.5,;16.88,-7.35,;16.4,-5.89,;16.33,-9.96,;15.43,-11.21,;16.34,-12.45,;17.8,-11.97,;19.14,-12.74,;20.47,-11.97,;20.46,-10.42,;21.79,-9.64,;19.13,-9.65,;17.79,-10.43,)| Show InChI InChI=1S/C22H20FN5O2/c23-14-7-15-16(10-26-19(15)25-9-14)20-24-8-13-5-6-28(21(13)27-20)18-12-3-1-11(2-4-12)17(18)22(29)30/h5-12,17-18H,1-4H2,(H,25,26)(H,29,30)/t11?,12?,17-,18-/m0/s1 | PDB
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Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507238
(CHEMBL4527175)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2CCCCc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(65.82,-17.63,;67.15,-18.4,;68.49,-17.61,;67.17,-19.94,;68.52,-20.71,;68.53,-22.26,;67.19,-23.04,;65.85,-22.28,;66.62,-20.99,;67.74,-21.89,;65.85,-20.73,;64.51,-19.98,;63.2,-20.76,;63.67,-22.21,;62.65,-23.35,;61.15,-23.05,;60.67,-21.59,;59.17,-21.29,;58.69,-19.82,;59.71,-18.68,;61.22,-18.99,;61.7,-20.44,;63.14,-24.8,;62.24,-26.06,;63.15,-27.31,;64.62,-26.82,;65.96,-27.6,;67.3,-26.82,;67.29,-25.27,;68.63,-24.49,;65.96,-24.5,;64.61,-25.28,)| Show InChI InChI=1S/C24H26FN5O2/c25-14-9-16-17(11-27-21(16)26-10-14)23-28-18-4-2-1-3-15(18)22(30-23)29-20-13-7-5-12(6-8-13)19(20)24(31)32/h9-13,19-20H,1-8H2,(H,26,27)(H,31,32)(H,28,29,30)/t12?,13?,19-,20-/m0/s1 | PDB
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Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507237
(CHEMBL4567152)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2nccnc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(51.29,-18.03,;52.63,-18.79,;53.97,-18.01,;52.64,-20.34,;53.99,-21.1,;54,-22.65,;52.66,-23.43,;51.33,-22.67,;52.09,-21.38,;53.21,-22.28,;51.32,-21.12,;49.99,-20.37,;48.67,-21.15,;49.15,-22.6,;48.13,-23.74,;46.63,-23.44,;46.15,-21.98,;44.66,-21.66,;44.18,-20.21,;45.2,-19.06,;46.7,-19.38,;47.18,-20.84,;48.62,-25.19,;47.72,-26.45,;48.63,-27.7,;50.09,-27.21,;51.44,-27.98,;52.77,-27.21,;52.77,-25.65,;54.1,-24.88,;51.43,-24.89,;50.09,-25.67,)| Show InChI InChI=1S/C22H20FN7O2/c23-12-7-13-14(9-27-18(13)26-8-12)19-29-20-17(24-5-6-25-20)21(30-19)28-16-11-3-1-10(2-4-11)15(16)22(31)32/h5-11,15-16H,1-4H2,(H,26,27)(H,31,32)(H,25,28,29,30)/t10?,11?,15-,16-/m0/s1 | PDB
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Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507235
(CHEMBL4514982)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2cccnc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(76.83,-1,;78.17,-1.76,;79.51,-.98,;78.18,-3.31,;79.53,-4.08,;79.54,-5.62,;78.2,-6.4,;76.87,-5.64,;77.63,-4.35,;78.76,-5.25,;76.86,-4.09,;75.53,-3.34,;74.21,-4.12,;74.69,-5.57,;73.67,-6.71,;72.17,-6.41,;71.69,-4.95,;70.19,-4.64,;69.71,-3.19,;70.74,-2.04,;72.24,-2.35,;72.72,-3.81,;74.16,-8.16,;73.26,-9.42,;74.17,-10.67,;75.63,-10.18,;76.98,-10.96,;78.31,-10.18,;78.31,-8.63,;79.65,-7.85,;76.97,-7.86,;75.63,-8.64,)| Show InChI InChI=1S/C23H21FN6O2/c24-13-8-14-15(10-27-20(14)26-9-13)21-28-16-2-1-7-25-19(16)22(30-21)29-18-12-5-3-11(4-6-12)17(18)23(31)32/h1-2,7-12,17-18H,3-6H2,(H,26,27)(H,31,32)(H,28,29,30)/t11?,12?,17-,18-/m0/s1 | PDB
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Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507234
(CHEMBL4464813)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2cccc(F)c12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(63.47,-2.1,;64.8,-2.86,;66.14,-2.08,;64.82,-4.41,;66.17,-5.18,;66.18,-6.72,;64.84,-7.5,;63.5,-6.74,;64.27,-5.45,;65.39,-6.35,;63.5,-5.19,;62.16,-4.44,;60.85,-5.22,;61.32,-6.67,;60.3,-7.81,;58.8,-7.51,;58.32,-6.05,;56.82,-5.74,;56.34,-4.29,;57.37,-3.13,;58.87,-3.45,;59.89,-2.31,;59.35,-4.91,;60.79,-9.27,;59.89,-10.52,;60.8,-11.77,;62.27,-11.29,;63.61,-12.06,;64.95,-11.29,;64.94,-9.73,;66.28,-8.95,;63.61,-8.96,;62.26,-9.74,)| Show InChI InChI=1S/C24H21F2N5O2/c25-13-8-14-15(10-28-21(14)27-9-13)22-29-17-3-1-2-16(26)19(17)23(31-22)30-20-12-6-4-11(5-7-12)18(20)24(32)33/h1-3,8-12,18,20H,4-7H2,(H,27,28)(H,32,33)(H,29,30,31)/t11?,12?,18-,20-/m0/s1 | PDB
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Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507221
(CHEMBL4542293)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1N1CCOc2cnc(nc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(51.16,-2.19,;52.49,-2.95,;53.82,-2.17,;52.51,-4.49,;53.85,-5.25,;53.86,-6.79,;52.53,-7.57,;51.2,-6.81,;51.96,-5.52,;53.08,-6.43,;51.19,-5.27,;49.88,-4.51,;49.39,-3.04,;47.87,-2.74,;46.85,-3.9,;47.35,-5.36,;46.33,-6.51,;46.81,-7.97,;48.32,-8.28,;49.35,-7.13,;48.87,-5.67,;48.8,-9.73,;47.9,-10.98,;48.81,-12.23,;50.27,-11.74,;51.61,-12.51,;52.94,-11.74,;52.93,-10.19,;54.27,-9.42,;51.6,-9.43,;50.27,-10.21,)| Show InChI InChI=1S/C22H22FN5O3/c23-13-7-14-15(9-25-19(14)24-8-13)20-26-10-16-21(27-20)28(5-6-31-16)18-12-3-1-11(2-4-12)17(18)22(29)30/h7-12,17-18H,1-6H2,(H,24,25)(H,29,30)/t11?,12?,17-,18-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507224
(CHEMBL4580408)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1n1cc(C#N)c2cnc(nc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(29.83,-2.09,;31.16,-2.85,;32.49,-2.07,;31.17,-4.39,;32.52,-5.15,;32.53,-6.69,;31.2,-7.47,;29.87,-6.71,;30.63,-5.42,;31.74,-6.33,;29.86,-5.17,;28.55,-4.41,;27.51,-3.27,;26.11,-3.91,;24.79,-3.15,;23.47,-2.4,;26.28,-5.44,;25.26,-6.59,;25.74,-8.05,;27.24,-8.37,;28.27,-7.21,;27.79,-5.75,;27.72,-9.82,;26.82,-11.07,;27.73,-12.31,;29.19,-11.83,;30.53,-12.6,;31.86,-11.83,;31.86,-10.28,;33.19,-9.5,;30.53,-9.51,;29.19,-10.29,)| Show InChI InChI=1S/C23H19FN6O2/c24-14-5-15-17(9-27-20(15)26-7-14)21-28-8-16-13(6-25)10-30(22(16)29-21)19-12-3-1-11(2-4-12)18(19)23(31)32/h5,7-12,18-19H,1-4H2,(H,26,27)(H,31,32)/t11?,12?,18-,19-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507226
(CHEMBL4538856)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2CCS(=O)(=O)c12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(9.28,-2.69,;10.62,-3.45,;11.95,-2.67,;10.63,-4.99,;11.98,-5.76,;11.99,-7.31,;10.65,-8.09,;9.32,-7.33,;10.08,-6.03,;11.2,-6.94,;9.31,-5.78,;7.98,-5.03,;6.67,-5.8,;7.14,-7.25,;6.13,-8.39,;4.62,-8.09,;4.14,-6.64,;2.73,-6.01,;2.89,-4.48,;4.4,-4.15,;4.39,-2.62,;5.72,-3.38,;5.17,-5.49,;6.61,-9.84,;5.71,-11.1,;6.62,-12.35,;8.08,-11.86,;9.42,-12.63,;10.76,-11.86,;10.75,-10.31,;12.09,-9.53,;9.42,-9.54,;8.08,-10.32,)| Show InChI InChI=1S/C22H22FN5O4S/c23-12-7-13-14(9-25-19(13)24-8-12)20-26-15-5-6-33(31,32)18(15)21(28-20)27-17-11-3-1-10(2-4-11)16(17)22(29)30/h7-11,16-17H,1-6H2,(H,24,25)(H,29,30)(H,26,27,28)/t10?,11?,16-,17-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507233
(CHEMBL4589525)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1n1cnc2cnc(nc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(40.52,-2.61,;41.86,-3.37,;43.19,-2.59,;41.87,-4.91,;43.21,-5.68,;43.22,-7.22,;41.89,-7.99,;40.56,-7.24,;41.32,-5.95,;42.44,-6.85,;40.56,-5.69,;39.25,-4.93,;38.21,-3.8,;36.8,-4.43,;36.98,-5.96,;35.95,-7.12,;36.43,-8.58,;37.93,-8.89,;38.97,-7.74,;38.48,-6.27,;38.42,-10.34,;37.52,-11.59,;38.43,-12.84,;39.89,-12.35,;41.22,-13.12,;42.56,-12.35,;42.55,-10.8,;43.88,-10.03,;41.22,-10.04,;39.88,-10.81,)| Show InChI InChI=1S/C21H19FN6O2/c22-12-5-13-14(7-24-18(13)23-6-12)19-25-8-15-20(27-19)28(9-26-15)17-11-3-1-10(2-4-11)16(17)21(29)30/h5-11,16-17H,1-4H2,(H,23,24)(H,29,30)/t10?,11?,16-,17-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507232
(CHEMBL4513835)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ccc(F)cc12 |r,wU:3.2,wD:10.12,(21.38,-34.97,;22.71,-35.73,;24.04,-34.95,;22.72,-37.27,;24.07,-38.04,;24.08,-39.58,;22.75,-40.36,;21.42,-39.6,;22.18,-38.31,;23.29,-39.21,;21.41,-38.05,;20.08,-37.3,;18.77,-38.08,;19.24,-39.52,;18.23,-40.66,;16.73,-40.36,;16.24,-38.91,;17.27,-37.77,;16.8,-36.32,;18.71,-42.11,;17.81,-43.36,;18.72,-44.61,;20.18,-44.12,;21.52,-44.9,;22.85,-44.12,;22.85,-42.57,;24.18,-41.8,;21.52,-41.81,;20.18,-42.59,)| Show InChI InChI=1S/C21H20F2N4O2/c22-12-5-6-16-13(7-12)14(8-24-16)19-25-9-15(23)20(27-19)26-18-11-3-1-10(2-4-11)17(18)21(28)29/h5-11,17-18,24H,1-4H2,(H,28,29)(H,25,26,27)/t10?,11?,17-,18-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 220 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507231
(CHEMBL4453678)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-n1ccc2ncc(F)cc12 |r,wU:3.2,wD:10.12,(9.5,-36.14,;10.83,-36.9,;12.16,-36.12,;10.84,-38.44,;12.19,-39.21,;12.2,-40.75,;10.87,-41.53,;9.54,-40.77,;10.3,-39.48,;11.41,-40.38,;9.53,-39.22,;8.2,-38.47,;6.89,-39.25,;7.36,-40.7,;6.35,-41.83,;4.85,-41.54,;4.36,-40.08,;5.39,-38.94,;4.92,-37.49,;6.83,-43.28,;5.93,-44.54,;6.84,-45.78,;8.3,-45.3,;9.64,-46.07,;10.97,-45.3,;10.97,-43.75,;12.3,-42.97,;9.64,-42.98,;8.3,-43.76,)| Show InChI InChI=1S/C20H19F2N5O2/c21-12-7-15-14(23-8-12)5-6-27(15)20-24-9-13(22)18(26-20)25-17-11-3-1-10(2-4-11)16(17)19(28)29/h5-11,16-17H,1-4H2,(H,28,29)(H,24,25,26)/t10?,11?,16-,17-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507252
(CHEMBL4548835)Show SMILES Cc1cccc2nc(N[C@H]3C4CCC(CC4)[C@@H]3C(O)=O)nc(-c3c[nH]c4ncc(F)cc34)c12 |r,wU:16.18,wD:9.8,(31.2,-43.44,;30.71,-41.99,;29.21,-41.7,;28.71,-40.24,;29.72,-39.09,;31.22,-39.39,;32.24,-38.23,;33.75,-38.54,;35.08,-37.76,;36.42,-38.51,;36.42,-40.07,;37.76,-40.83,;39.1,-40.05,;39.09,-38.5,;38.31,-39.68,;37.19,-38.77,;37.74,-37.73,;37.73,-36.18,;36.38,-35.41,;39.07,-35.39,;34.24,-40,;33.21,-41.14,;33.7,-42.6,;32.79,-43.86,;33.71,-45.11,;35.18,-44.63,;36.53,-45.4,;37.87,-44.63,;37.86,-43.07,;39.21,-42.28,;36.52,-42.3,;35.18,-43.08,;31.71,-40.84,)| Show InChI InChI=1S/C25H24FN5O2/c1-12-3-2-4-18-19(12)22(17-11-28-23-16(17)9-15(26)10-27-23)31-25(29-18)30-21-14-7-5-13(6-8-14)20(21)24(32)33/h2-4,9-11,13-14,20-21H,5-8H2,1H3,(H,27,28)(H,32,33)(H,29,30,31)/t13?,14?,20-,21-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 450 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
Polymerase basic protein 2
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50507227
(CHEMBL4519832)Show SMILES OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2CS(=O)(=O)Cc12)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(22.98,-2.34,;24.32,-3.1,;25.65,-2.32,;24.33,-4.65,;25.68,-5.41,;25.69,-6.96,;24.35,-7.74,;23.02,-6.98,;23.78,-5.69,;24.9,-6.59,;23.02,-5.43,;21.68,-4.68,;20.37,-5.46,;20.85,-6.91,;19.83,-8.04,;18.32,-7.75,;17.84,-6.29,;16.43,-5.66,;16.59,-4.13,;15.06,-4.13,;15.82,-2.81,;18.1,-3.81,;18.87,-5.15,;20.31,-9.5,;19.41,-10.75,;20.32,-12,;21.79,-11.51,;23.13,-12.29,;24.46,-11.51,;24.46,-9.96,;25.79,-9.18,;23.12,-9.19,;21.78,-9.97,)| Show InChI InChI=1S/C22H22FN5O4S/c23-12-5-13-14(7-25-19(13)24-6-12)20-26-16-9-33(31,32)8-15(16)21(28-20)27-18-11-3-1-10(2-4-11)17(18)22(29)30/h5-7,10-11,17-18H,1-4,8-9H2,(H,24,25)(H,29,30)(H,26,27,28)/t10?,11?,17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description
Inhibition of PB2 in Influenza A virus (A/Weiss/1943(H1N1)) infected in MDCK cells assessed as reduction in virus induced cell death after 5 days by ... |
Eur J Med Chem 162: 249-265 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.015
BindingDB Entry DOI: 10.7270/Q2PG1W2P |
More data for this
Ligand-Target Pair | |
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