Found 20 hits of affinity data for UniProtKB/TrEMBL: P03452 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50360450
(CHEMBL1934618)Show SMILES CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r| Show InChI InChI=1S/C24H43NO8S/c1-3-5-6-7-8-9-10-11-12-13-14-34-24(23(31)32)15-17(27)20(25-19(29)4-2)22(33-24)21(30)18(28)16-26/h4,17-18,20-22,26-28,30H,2-3,5-16H2,1H3,(H,25,29)(H,31,32)/t17-,18+,20+,21+,22+,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saitama University
Curated by ChEMBL
| Assay Description
Inhibition of Human influenza virus A/PR/8/34 (H1N1) hemagglutinin activity in chicken erythrocytes after 1 hr |
Bioorg Med Chem 20: 446-54 (2011)
Article DOI: 10.1016/j.bmc.2011.10.064
BindingDB Entry DOI: 10.7270/Q2SN09CZ |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50360452
(CHEMBL1934620)Show SMILES CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)CCCCCNC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r| Show InChI InChI=1S/C30H54N2O9S/c1-3-5-6-7-8-9-10-11-12-16-19-42-30(29(39)40)20-22(34)26(28(41-30)27(38)23(35)21-33)32-25(37)17-14-13-15-18-31-24(36)4-2/h4,22-23,26-28,33-35,38H,2-3,5-21H2,1H3,(H,31,36)(H,32,37)(H,39,40)/t22-,23+,26+,27+,28+,30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Saitama University
Curated by ChEMBL
| Assay Description
Inhibition of Human influenza virus A/PR/8/34 (H1N1) hemagglutinin activity in chicken erythrocytes after 1 hr |
Bioorg Med Chem 20: 446-54 (2011)
Article DOI: 10.1016/j.bmc.2011.10.064
BindingDB Entry DOI: 10.7270/Q2SN09CZ |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50551836
(CHEMBL3288937)Show SMILES COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(F)cc1)C1(CCN(Cc2ccccc2)CC1)C(=O)NCc1ccccc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Influenza A virus (A/PR 8/34 (H1N1)) hemagglutinin transfected in human HeLa cells assessed as reduction in low pH-indued polykaryon fo... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112223
BindingDB Entry DOI: 10.7270/Q28919GK |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50360451
(CHEMBL1934619)Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)C=C)C(O)=O |r| Show InChI InChI=1S/C12H19NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h2,5-6,8-10,14-16,18,21H,1,3-4H2,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Saitama University
Curated by ChEMBL
| Assay Description
Inhibition of Human influenza virus A/PR/8/34 (H1N1) hemagglutinin activity in chicken erythrocytes after 1 hr |
Bioorg Med Chem 20: 446-54 (2011)
Article DOI: 10.1016/j.bmc.2011.10.064
BindingDB Entry DOI: 10.7270/Q2SN09CZ |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50320029
(CHEMBL1084192 | IDIAFSSLALADISR)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C71H118N18O23/c1-14-35(8)53(72)67(108)84-47(29-52(95)96)63(104)88-54(36(9)15-2)68(109)78-40(13)58(99)81-45(27-41-21-18-17-19-22-41)61(102)85-49(31-91)66(107)86-48(30-90)65(106)83-44(26-34(6)7)60(101)77-38(11)56(97)80-43(25-33(4)5)59(100)76-39(12)57(98)82-46(28-51(93)94)62(103)89-55(37(10)16-3)69(110)87-50(32-92)64(105)79-42(70(111)112)23-20-24-75-71(73)74/h17-19,21-22,33-40,42-50,53-55,90-92H,14-16,20,23-32,72H2,1-13H3,(H,76,100)(H,77,101)(H,78,109)(H,79,105)(H,80,97)(H,81,99)(H,82,98)(H,83,106)(H,84,108)(H,85,102)(H,86,107)(H,87,110)(H,88,104)(H,89,103)(H,93,94)(H,95,96)(H,111,112)(H4,73,74,75)/t35-,36-,37-,38-,39-,40-,42-,43-,44-,45-,46-,47-,48-,49-,50-,53-,54-,55-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a |
Keio University
Curated by ChEMBL
| Assay Description
Binding affinity to Influenza A virus (A/Puerto Rico/8/34(H1N1)) hemagglutinin by phage ELISA |
J Med Chem 53: 4441-9 (2010)
Article DOI: 10.1021/jm1002183
BindingDB Entry DOI: 10.7270/Q2ZP4697 |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50148911
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.65E+4 | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Influenza A virus (A/California/04/2009 (H1N1)) hemagglutinin by SPR assay |
Eur J Med Chem 163: 560-568 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.006
BindingDB Entry DOI: 10.7270/Q2PZ5D9C |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50529725
(CHEMBL4569515)Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)NCCNC(=O)c3ccccc3O)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9| Show InChI InChI=1S/C39H58N2O4/c1-24-14-19-39(34(45)41-23-22-40-33(44)26-10-8-9-11-28(26)42)21-20-37(6)27(32(39)25(24)2)12-13-30-36(5)17-16-31(43)35(3,4)29(36)15-18-38(30,37)7/h8-12,24-25,29-32,42-43H,13-23H2,1-7H3,(H,40,44)(H,41,45)/t24-,25+,29+,30-,31+,32+,36+,37-,38-,39+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.56E+4 | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Influenza A virus (A/California/04/2009 (H1N1)) hemagglutinin by SPR assay |
Eur J Med Chem 163: 560-568 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.006
BindingDB Entry DOI: 10.7270/Q2PZ5D9C |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50148911
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.65E+4 | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Influenza A virus (A/California/04/2009 (H1N1)) hemagglutinin by SPR assay |
Eur J Med Chem 163: 560-568 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.006
BindingDB Entry DOI: 10.7270/Q2PZ5D9C |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50529726
(CHEMBL4464620)Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCCNC(=O)c1ccccc1O |r,t:15| Show InChI InChI=1S/C39H58N2O4/c1-34(2)18-20-39(33(45)41-23-22-40-32(44)25-10-8-9-11-28(25)42)21-19-37(6)26(27(39)24-34)12-13-30-36(5)16-15-31(43)35(3,4)29(36)14-17-38(30,37)7/h8-12,27,29-31,42-43H,13-24H2,1-7H3,(H,40,44)(H,41,45)/t27-,29-,30+,31-,36-,37+,38+,39-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Influenza A virus (A/California/04/2009 (H1N1)) hemagglutinin by SPR assay |
Eur J Med Chem 163: 560-568 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.006
BindingDB Entry DOI: 10.7270/Q2PZ5D9C |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50529726
(CHEMBL4464620)Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCCNC(=O)c1ccccc1O |r,t:15| Show InChI InChI=1S/C39H58N2O4/c1-34(2)18-20-39(33(45)41-23-22-40-32(44)25-10-8-9-11-28(25)42)21-19-37(6)26(27(39)24-34)12-13-30-36(5)16-15-31(43)35(3,4)29(36)14-17-38(30,37)7/h8-12,27,29-31,42-43H,13-24H2,1-7H3,(H,40,44)(H,41,45)/t27-,29-,30+,31-,36-,37+,38+,39-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Influenza A virus (A/California/04/2009 (H1N1)) hemagglutinin by SPR assay |
Eur J Med Chem 163: 560-568 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.006
BindingDB Entry DOI: 10.7270/Q2PZ5D9C |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50529725
(CHEMBL4569515)Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)NCCNC(=O)c3ccccc3O)[C@@]1(C)CC[C@H](O)C2(C)C |r,t:9| Show InChI InChI=1S/C39H58N2O4/c1-24-14-19-39(34(45)41-23-22-40-33(44)26-10-8-9-11-28(26)42)21-20-37(6)27(32(39)25(24)2)12-13-30-36(5)17-16-31(43)35(3,4)29(36)15-18-38(30,37)7/h8-12,24-25,29-32,42-43H,13-23H2,1-7H3,(H,40,44)(H,41,45)/t24-,25+,29+,30-,31+,32+,36+,37-,38-,39+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.56E+4 | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant Influenza A virus (A/California/04/2009 (H1N1)) hemagglutinin by SPR assay |
Eur J Med Chem 163: 560-568 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.006
BindingDB Entry DOI: 10.7270/Q2PZ5D9C |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50542719
(CHEMBL4639026)Show SMILES CC(=O)c1cc(C)c(O)c(Cc2[nH]c3ccccc3c2Cc2c(O)c(C)cc(C(C)=O)c2O)c1O Show InChI InChI=1S/C28H27NO6/c1-13-9-18(15(3)30)27(34)21(25(13)32)11-20-17-7-5-6-8-23(17)29-24(20)12-22-26(33)14(2)10-19(16(4)31)28(22)35/h5-10,29,32-35H,11-12H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Binding affinity to Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Hemagglutinin at 1.5625 to 50 uM by SPR assay |
J Med Chem 63: 6924-6940 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00312
BindingDB Entry DOI: 10.7270/Q2QF8XFN |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM83797
(6-Bromo-4-dimethylaminomethyl-5-hydroxy-1-methyl-2...)Show SMILES CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12 Show InChI InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.11E+4 | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Binding affinity to Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Hemagglutinin at 1.5625 to 50 uM by SPR assay |
J Med Chem 63: 6924-6940 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00312
BindingDB Entry DOI: 10.7270/Q2QF8XFN |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50542720
(CHEMBL4645411)Show SMILES [H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)C(NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O |r| Show InChI InChI=1S/C23H39NO19/c1-7(29)24-13-8(30)2-23(22(38)39,42-19(13)15(35)10(32)4-26)43-20-16(36)12(6-28)40-21(17(20)37)41-18(11(33)5-27)14(34)9(31)3-25/h3,8-21,26-28,30-37H,2,4-6H2,1H3,(H,24,29)(H,38,39)/t8-,9-,10+,11+,12+,13?,14+,15+,16-,17+,18+,19+,20-,21-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Binding affinity to Influenza A virus (A/Puerto Rico/8/1934(H1N1)) Hemagglutinin at 1.5625 to 50 uM by SPR assay |
J Med Chem 63: 6924-6940 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00312
BindingDB Entry DOI: 10.7270/Q2QF8XFN |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50542719
(CHEMBL4639026)Show SMILES CC(=O)c1cc(C)c(O)c(Cc2[nH]c3ccccc3c2Cc2c(O)c(C)cc(C(C)=O)c2O)c1O Show InChI InChI=1S/C28H27NO6/c1-13-9-18(15(3)30)27(34)21(25(13)32)11-20-17-7-5-6-8-23(17)29-24(20)12-22-26(33)14(2)10-19(16(4)31)28(22)35/h5-10,29,32-35H,11-12H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a |
Ocean University of China
Curated by ChEMBL
| Assay Description
Binding affinity to Influenza A virus (A/California/04/2009(H1N1)) Hemagglutinin at 1.5625 to 50 uM by SPR assay |
J Med Chem 63: 6924-6940 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00312
BindingDB Entry DOI: 10.7270/Q2QF8XFN |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50320028
(CHEMBL1084191 | GRVPVFGLSPLFKVE)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7])-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](-[#8])=O |r| Show InChI InChI=1S/C74H116N18O18/c1-41(2)34-50(82-58(95)39-80-62(98)52(36-45-20-11-9-12-21-45)87-69(105)56-27-19-33-92(56)72(108)61(44(7)8)90-63(99)47(81-57(94)38-76)25-17-31-79-74(77)78)65(101)88-54(40-93)71(107)91-32-18-26-55(91)68(104)86-51(35-42(3)4)66(102)85-53(37-46-22-13-10-14-23-46)67(103)83-48(24-15-16-30-75)64(100)89-60(43(5)6)70(106)84-49(73(109)110)28-29-59(96)97/h9-14,20-23,41-44,47-56,60-61,93H,15-19,24-40,75-76H2,1-8H3,(H,80,98)(H,81,94)(H,82,95)(H,83,103)(H,84,106)(H,85,102)(H,86,104)(H,87,105)(H,88,101)(H,89,100)(H,90,99)(H,96,97)(H,109,110)(H4,77,78,79)/t47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-,61-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a |
Keio University
Curated by ChEMBL
| Assay Description
Binding affinity to Influenza A virus (A/Puerto Rico/8/34(H1N1)) hemagglutinin by phage ELISA |
J Med Chem 53: 4441-9 (2010)
Article DOI: 10.1021/jm1002183
BindingDB Entry DOI: 10.7270/Q2ZP4697 |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50320027
(CHEMBL1084190 | GRPPDSVFRSRGWLS)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CN)C(C)C)C(=O)N[C@@H](CO)C(O)=O |r,wU:43.52,65.68,26.35,8.20,75.82,116.120,wD:90.93,83.85,37.41,69.74,97.109,54.64,4.4,(-5.83,-18.3,;-5.83,-19.84,;-7.17,-20.61,;-4.5,-20.61,;-4.5,-22.15,;-3.16,-22.91,;-1.83,-22.14,;-1.83,-20.6,;-.5,-22.91,;-.5,-24.46,;-1.83,-25.23,;-3.23,-24.6,;-4.27,-25.75,;-3.49,-27.07,;-3.96,-28.54,;-2.93,-29.68,;-1.43,-29.36,;-.96,-27.89,;-1.99,-26.75,;.83,-22.14,;2.17,-22.91,;2.17,-24.45,;3.51,-22.14,;4.84,-22.91,;6.17,-22.14,;6.17,-20.6,;7.51,-22.9,;7.51,-24.45,;6.17,-25.22,;6.17,-26.76,;4.84,-27.53,;4.84,-29.07,;6.18,-29.86,;3.51,-29.85,;8.85,-22.14,;10.18,-22.91,;10.18,-24.45,;11.52,-22.14,;11.52,-20.6,;10.17,-19.83,;12.84,-22.92,;14.17,-22.14,;14.17,-20.61,;15.5,-22.91,;15.5,-24.45,;14.17,-25.23,;14.17,-26.77,;12.84,-27.54,;12.84,-29.08,;14.17,-29.85,;11.5,-29.86,;16.84,-22.14,;18.17,-22.91,;18.17,-24.45,;19.51,-22.14,;19.51,-20.6,;18.17,-19.84,;16.84,-20.61,;15.51,-19.84,;15.51,-18.31,;16.84,-17.54,;18.16,-18.3,;20.84,-22.91,;22.18,-22.15,;22.18,-20.61,;23.51,-22.92,;24.84,-22.14,;26.17,-22.92,;26.17,-24.46,;27.51,-22.15,;27.51,-20.61,;26.16,-19.83,;28.84,-22.92,;30.18,-22.15,;30.18,-20.62,;31.51,-22.92,;31.51,-24.47,;30.18,-25.24,;28.85,-24.45,;30.18,-26.78,;32.84,-22.16,;34.18,-22.93,;34.18,-24.47,;35.52,-22.16,;35.43,-20.61,;37.07,-20.27,;37.9,-21.72,;36.78,-22.97,;36.97,-24.5,;35.81,-25.51,;38.43,-25,;39.55,-23.93,;40.87,-24.95,;40.32,-26.52,;38.63,-26.49,;37.62,-27.64,;36.1,-27.33,;38.1,-29.1,;39.61,-29.41,;40.63,-28.26,;42.14,-28.57,;43.15,-27.41,;44.66,-27.73,;45.15,-29.19,;45.67,-26.57,;37.07,-30.25,;37.56,-31.71,;39.07,-32.02,;36.53,-32.86,;37.01,-34.33,;23.51,-24.46,;22.18,-25.23,;24.85,-25.23,;-5.83,-22.91,;-5.83,-24.46,;-7.17,-22.15,;-8.5,-22.92,;-8.5,-24.46,;-9.83,-25.23,;-9.83,-22.15,;-11.17,-22.92,;-9.83,-20.62,)| Show InChI InChI=1S/C76H117N25O21/c1-39(2)29-48(63(111)98-54(38-104)73(121)122)93-65(113)50(31-42-34-87-44-18-9-8-17-43(42)44)90-58(106)35-88-61(109)45(19-10-24-84-74(78)79)91-67(115)52(36-102)96-62(110)46(20-11-25-85-75(80)81)92-64(112)49(30-41-15-6-5-7-16-41)95-70(118)60(40(3)4)99-68(116)53(37-103)97-66(114)51(32-59(107)108)94-69(117)55-22-13-27-100(55)72(120)56-23-14-28-101(56)71(119)47(89-57(105)33-77)21-12-26-86-76(82)83/h5-9,15-18,34,39-40,45-56,60,87,102-104H,10-14,19-33,35-38,77H2,1-4H3,(H,88,109)(H,89,105)(H,90,106)(H,91,115)(H,92,112)(H,93,113)(H,94,117)(H,95,118)(H,96,110)(H,97,114)(H,98,111)(H,99,116)(H,107,108)(H,121,122)(H4,78,79,84)(H4,80,81,85)(H4,82,83,86)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
Keio University
Curated by ChEMBL
| Assay Description
Binding affinity to Influenza A virus (A/Puerto Rico/8/34(H1N1)) hemagglutinin by phage ELISA |
J Med Chem 53: 4441-9 (2010)
Article DOI: 10.1021/jm1002183
BindingDB Entry DOI: 10.7270/Q2ZP4697 |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50579619
(CHEMBL4855404)Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCCCCc1cn(Cc2cc(Cn3cc(CCCCNC(=O)[C@]45CCC(C)(C)C[C@@]4([H])C4=CC[C@]6([H])[C@@]7(C)CC[C@H](O)C(C)(C)[C@]7([H])CC[C@@]6(C)[C@]4(C)CC5)nn3)cc(Cn3cc(CCCCNC(=O)[C@]45CCC(C)(C)C[C@@]4([H])C4=CC[C@]6([H])[C@@]7(C)CC[C@H](O)C(C)(C)[C@]7([H])CC[C@@]6(C)[C@]4(C)CC5)nn3)c2)nn1 |r,t:15,73,127| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.63E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to CM5 chip immobilized Influenza A virus (A/Michigan/45/2015) (H1N1)) hemagglutin assessed as dissociation constant by surface plas... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00374
BindingDB Entry DOI: 10.7270/Q2KP8609 |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50320025
(ARLSPTMVHPNGAQP | CHEMBL1084188)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](C)N)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:33.41,12.11,4.4,89.92,106.110,77.79,19.22,44.46,wD:25.30,8.8,53.53,73.76,60.60,94.96,47.49,(12.92,-9.86,;12.53,-8.37,;13.63,-7.29,;13.24,-5.8,;14.34,-4.72,;15.82,-5.13,;16.22,-6.62,;15.12,-7.71,;17.69,-7.03,;18.08,-8.52,;19.57,-8.93,;20.66,-7.86,;19.95,-10.43,;18.97,-11.61,;19.8,-12.91,;21.3,-12.52,;21.39,-10.98,;22.69,-10.16,;22.7,-8.62,;24.01,-10.94,;24,-12.48,;22.66,-13.24,;25.35,-10.18,;26.68,-10.96,;26.67,-12.5,;28.02,-10.2,;28.03,-8.66,;26.71,-7.88,;25.37,-8.64,;26.72,-6.34,;29.35,-10.98,;30.69,-10.22,;30.7,-8.68,;32.01,-11,;32,-12.54,;30.66,-13.3,;30.65,-14.84,;29.31,-15.61,;29.3,-17.15,;30.62,-17.93,;27.95,-17.9,;33.35,-10.24,;34.68,-11.02,;34.67,-12.57,;36.02,-10.26,;36.03,-8.72,;37.35,-11.05,;18.79,-5.95,;20.28,-6.36,;18.41,-4.46,;13.96,-3.23,;15.05,-2.16,;12.47,-2.82,;12.09,-1.33,;13.18,-.25,;12.8,1.24,;14.67,-.66,;10.6,-.92,;9.5,-2,;10.21,.57,;8.72,.98,;8.34,2.47,;9.44,3.56,;10.95,3.3,;11.67,4.67,;10.58,5.77,;9.2,5.08,;7.63,-.1,;8.02,-1.58,;6.14,.32,;5.6,1.76,;4.06,1.69,;3.65,.2,;4.94,-.64,;5,-2.18,;6.33,-2.96,;3.71,-3.01,;3.77,-4.55,;5.1,-5.33,;5.09,-6.88,;3.75,-7.64,;6.42,-7.65,;2.48,-5.38,;1.15,-4.6,;2.47,-6.92,;1.13,-7.68,;1.11,-9.21,;2.44,-10,;-.23,-9.98,;-.24,-11.52,;1.09,-12.29,;-1.58,-12.27,;-2.91,-11.49,;-1.59,-13.81,;-2.93,-14.57,;-4.26,-13.8,;-5.6,-14.56,;-6.93,-13.77,;-6.91,-12.24,;-8.26,-14.53,;-2.94,-16.12,;-4.28,-16.88,;-1.62,-16.9,;-.2,-16.28,;.82,-17.44,;.04,-18.77,;-1.46,-18.43,;-2.62,-19.45,;-4.1,-19.04,;-2.23,-20.94,)| Show InChI InChI=1S/C67H110N22O20S/c1-32(2)25-41(81-56(98)38(78-53(95)34(5)68)13-9-20-74-67(71)72)58(100)84-44(30-90)65(107)88-22-11-15-46(88)60(102)86-52(36(7)91)62(104)79-39(19-24-110-8)57(99)85-51(33(3)4)61(103)83-43(26-37-28-73-31-76-37)64(106)87-21-10-14-45(87)59(101)82-42(27-49(70)93)55(97)75-29-50(94)77-35(6)54(96)80-40(17-18-48(69)92)63(105)89-23-12-16-47(89)66(108)109/h28,31-36,38-47,51-52,90-91H,9-27,29-30,68H2,1-8H3,(H2,69,92)(H2,70,93)(H,73,76)(H,75,97)(H,77,94)(H,78,95)(H,79,104)(H,80,96)(H,81,98)(H,82,101)(H,83,103)(H,84,100)(H,85,99)(H,86,102)(H,108,109)(H4,71,72,74)/t34-,35+,36-,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,51+,52+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a |
Keio University
Curated by ChEMBL
| Assay Description
Binding affinity to Influenza A virus (A/Puerto Rico/8/34(H1N1)) hemagglutinin by phage ELISA |
J Med Chem 53: 4441-9 (2010)
Article DOI: 10.1021/jm1002183
BindingDB Entry DOI: 10.7270/Q2ZP4697 |
More data for this
Ligand-Target Pair | |
Hemagglutinin
(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...) | BDBM50320026
(CHEMBL1084189 | EPYGFIAFSRAAHSP)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O |r,wU:2.2,52.55,85.89,42.45,8.16,23.33,95.98,68.71,wD:35.36,4.4,90.94,114.120,74.77,57.59,105.109,(20.37,-11.7,;20.37,-10.16,;21.71,-9.39,;23.05,-10.16,;21.71,-7.85,;20.37,-7.08,;19.04,-7.85,;19.04,-9.39,;17.71,-7.08,;17.71,-5.54,;19.04,-4.77,;20.37,-5.54,;21.71,-4.77,;21.71,-3.24,;20.38,-2.46,;19.04,-3.24,;16.37,-7.85,;15.04,-7.08,;15.04,-5.54,;13.71,-7.85,;12.37,-7.08,;11.03,-7.85,;11.03,-9.39,;9.7,-7.08,;9.7,-5.54,;11.03,-4.77,;11.03,-3.24,;12.37,-2.47,;13.7,-3.24,;15.03,-2.46,;13.7,-4.77,;12.37,-5.54,;8.37,-7.85,;7.04,-7.08,;7.04,-5.54,;5.74,-7.92,;5.66,-9.46,;4.18,-9.86,;3.33,-8.57,;4.31,-7.36,;3.91,-5.88,;5,-4.79,;2.42,-5.48,;1.33,-6.57,;2.02,-3.99,;.53,-3.59,;-.56,-4.68,;-2.05,-4.28,;-.16,-6.17,;23.05,-7.08,;23.05,-5.54,;24.38,-7.85,;25.71,-7.08,;25.71,-5.54,;27.05,-7.85,;27.05,-9.39,;28.38,-7.08,;29.71,-7.85,;29.71,-9.39,;31.05,-10.16,;32.38,-9.4,;33.71,-10.16,;33.71,-11.7,;32.38,-12.46,;31.05,-11.69,;31.05,-7.08,;31.05,-5.54,;32.39,-7.85,;33.72,-7.08,;33.72,-5.54,;35.05,-4.77,;35.05,-7.85,;35.05,-9.39,;36.38,-7.08,;37.72,-7.85,;37.72,-9.39,;39.05,-10.16,;39.05,-11.7,;40.39,-12.47,;40.39,-14.01,;39.05,-14.78,;41.72,-14.78,;39.05,-7.08,;39.05,-5.54,;40.39,-7.85,;41.72,-7.08,;41.72,-5.54,;43.05,-7.85,;43.05,-9.39,;44.38,-7.08,;45.72,-7.85,;45.72,-9.39,;47.06,-7.08,;47.06,-5.54,;48.39,-7.85,;49.72,-7.08,;49.72,-5.54,;51.06,-4.77,;52.47,-5.4,;53.5,-4.25,;52.72,-2.92,;51.22,-3.23,;51.06,-7.85,;51.06,-9.39,;52.39,-7.08,;53.72,-7.85,;53.72,-9.39,;55.06,-10.16,;55.06,-7.08,;55.06,-5.54,;56.4,-7.85,;56.56,-9.39,;58.07,-9.7,;58.83,-8.37,;57.8,-7.22,;58.12,-5.72,;59.61,-5.32,;57.03,-4.63,)| Show InChI InChI=1S/C77H108N20O21/c1-6-41(2)62(95-70(111)53(32-45-16-9-7-10-17-45)88-60(101)37-83-66(107)52(34-47-23-25-49(100)26-24-47)92-72(113)58-21-14-30-96(58)74(115)50(78)27-28-61(102)103)73(114)87-44(5)65(106)90-54(33-46-18-11-8-12-19-46)68(109)93-56(38-98)71(112)89-51(20-13-29-82-77(79)80)67(108)86-42(3)63(104)85-43(4)64(105)91-55(35-48-36-81-40-84-48)69(110)94-57(39-99)75(116)97-31-15-22-59(97)76(117)118/h7-12,16-19,23-26,36,40-44,50-59,62,98-100H,6,13-15,20-22,27-35,37-39,78H2,1-5H3,(H,81,84)(H,83,107)(H,85,104)(H,86,108)(H,87,114)(H,88,101)(H,89,112)(H,90,106)(H,91,105)(H,92,113)(H,93,109)(H,94,110)(H,95,111)(H,102,103)(H,117,118)(H4,79,80,82)/t41-,42-,43-,44-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a |
Keio University
Curated by ChEMBL
| Assay Description
Binding affinity to Influenza A virus (A/Puerto Rico/8/34(H1N1)) hemagglutinin by phage ELISA |
J Med Chem 53: 4441-9 (2010)
Article DOI: 10.1021/jm1002183
BindingDB Entry DOI: 10.7270/Q2ZP4697 |
More data for this
Ligand-Target Pair | |
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