BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with Target = 'Hemagglutinin'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hemagglutinin


(Influenza A virus (strain swl A/California/04/2009...)
BDBM247018
PNG
(US9701638, 9)
Show SMILES Oc1cc2cc(ccc2[nH]c1=O)-c1ccc(F)cc1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 560n/an/an/an/a7.5n/a



Rutgers, The State University of New Jersey

US Patent




US Patent US9701638 (2017)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain swl A/California/04/2009...)
BDBM247019
PNG
(US9701638, 10)
Show SMILES Oc1cc2ccc(cc2[nH]c1=O)-c1ccc(F)cc1
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
n/an/a 560n/an/an/an/a7.5n/a



Rutgers, The State University of New Jersey

US Patent




US Patent US9701638 (2017)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain swl A/California/04/2009...)
BDBM247021
PNG
(US9701638, 12)
Show SMILES Oc1c(Br)c2ccc(cc2[nH]c1=O)-c1ccc(F)cc1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 1.10E+3n/an/an/an/a7.5n/a



Rutgers, The State University of New Jersey

US Patent




US Patent US9701638 (2017)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain swl A/California/04/2009...)
BDBM247024
PNG
(US9701638, 15)
Show SMILES Oc1c(-c2ccccc2)c2ccc(cc2[nH]c1=O)-c1ccc(F)cc1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 2.00E+3n/an/an/an/a7.5n/a



Rutgers, The State University of New Jersey

US Patent




US Patent US9701638 (2017)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain swl A/California/04/2009...)
BDBM247017
PNG
(US9701638, 8)
Show SMILES CC.Oc1cc2c(cccc2[nH]c1=O)-c1ccc(F)cc1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 3.30E+3n/an/an/an/a7.5n/a



Rutgers, The State University of New Jersey

US Patent




US Patent US9701638 (2017)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain A/Aichi/2/1968 H3N2))
BDBM50360450
PNG
(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
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

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Saitama University

Curated by ChEMBL


Assay Description
Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) hemagglutinin activity in chicken erythrocytes after 1 hr


Bioorg Med Chem 20: 446-54 (2011)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain swl A/California/04/2009...)
BDBM247020
PNG
(US9701638, 11)
Show SMILES Oc1cc2cccc(-c3ccc(F)cc3)c2[nH]c1=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 4.70E+3n/an/an/an/a7.5n/a



Rutgers, The State University of New Jersey

US Patent




US Patent US9701638 (2017)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain swl A/California/04/2009...)
BDBM247013
PNG
(US9701638, 4)
Show SMILES Oc1cc2cc(Br)ccc2[nH]c1=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 7.40E+3n/an/an/an/a7.5n/a



Rutgers, The State University of New Jersey

US Patent




US Patent US9701638 (2017)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain swl A/California/04/2009...)
BDBM247014
PNG
(US9701638, 5)
Show SMILES Oc1cc2ccc(Br)cc2[nH]c1=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 7.60E+3n/an/an/an/a7.5n/a



Rutgers, The State University of New Jersey

US Patent




US Patent US9701638 (2017)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM50360452
PNG
(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
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
Article
PubMed
n/an/a 7.81E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM50360450
PNG
(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
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
Article
PubMed
n/an/a 7.81E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain A/Aichi/2/1968 H3N2))
BDBM50360452
PNG
(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
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

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.81E+3n/an/an/an/an/an/a



Saitama University

Curated by ChEMBL


Assay Description
Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) hemagglutinin activity in chicken erythrocytes after 1 hr


Bioorg Med Chem 20: 446-54 (2011)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain swl A/California/04/2009...)
BDBM247015
PNG
(US9701638, 6)
Show SMILES Oc1cc2cccc(Br)c2[nH]c1=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 1.06E+4n/an/an/an/a7.5n/a



Rutgers, The State University of New Jersey

US Patent




US Patent US9701638 (2017)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain swl A/California/04/2009...)
BDBM247016
PNG
(US9701638, 7)
Show SMILES Oc1c(-c2ccc(F)cc2)c2ccccc2[nH]c1=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 1.08E+4n/an/an/an/a7.5n/a



Rutgers, The State University of New Jersey

US Patent




US Patent US9701638 (2017)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain swl A/California/04/2009...)
BDBM247012
PNG
(US9701638, 3)
Show SMILES Oc1cc2c(Br)cccc2[nH]c1=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 1.22E+4n/an/an/an/a7.5n/a



Rutgers, The State University of New Jersey

US Patent




US Patent US9701638 (2017)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain swl A/California/04/2009...)
BDBM247025
PNG
(US9701638, 16)
Show SMILES Cc1c(O)c(=O)[nH]c2cc(ccc12)-c1ccc(F)cc1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 1.32E+4n/an/an/an/a7.5n/a



Rutgers, The State University of New Jersey

US Patent




US Patent US9701638 (2017)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain swl A/California/04/2009...)
BDBM247022
PNG
(US9701638, 13)
Show SMILES Oc1c(-c2ccccc2)c2ccccc2[nH]c1=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a>2.00E+4n/an/an/an/a7.5n/a



Rutgers, The State University of New Jersey

US Patent




US Patent US9701638 (2017)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain swl A/California/04/2009...)
BDBM31148
PNG
(3-hydroxyquinolin-2(1H)-one, 2 | US9701638, 1)
Show SMILES Oc1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
n/an/a 2.40E+4n/an/an/an/a7.5n/a



Rutgers, The State University of New Jersey

US Patent




US Patent US9701638 (2017)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain swl A/California/04/2009...)
BDBM247011
PNG
(US9701638, 2)
Show SMILES Oc1c(Br)c2ccccc2[nH]c1=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 5.30E+4n/an/an/an/a7.5n/a



Rutgers, The State University of New Jersey

US Patent




US Patent US9701638 (2017)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain swl A/California/04/2009...)
BDBM31169
PNG
(3-hydroxyquinolin-2(1H)-one, 23 | US9701638, 14)
Show SMILES Cc1c(O)c(=O)[nH]c2ccccc12
Show InChI InChI=1S/C10H9NO2/c1-6-7-4-2-3-5-8(7)11-10(13)9(6)12/h2-5,12H,1H3,(H,11,13)
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
n/an/a>1.00E+5n/an/an/an/a7.5n/a



Rutgers, The State University of New Jersey

US Patent




US Patent US9701638 (2017)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain A/Aichi/2/1968 H3N2))
BDBM50360451
PNG
(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
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

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



Saitama University

Curated by ChEMBL


Assay Description
Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) hemagglutinin activity in chicken erythrocytes after 1 hr


Bioorg Med Chem 20: 446-54 (2011)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM50360451
PNG
(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
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
Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Hemagglutinin-neuraminidase


(Human parainfluenza virus 1)
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 3.00E+5n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Human parainfluenza virus 1 sialidase using N-acetyl-alpha-neuramic acid by fluorometric assay


Bioorg Med Chem 19: 2418-27 (2011)

More data for this
Ligand-Target Pair
Hemagglutinin-neuraminidase


(Human parainfluenza virus 1)
BDBM50341454
PNG
(5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(phenyl...)
Show SMILES CC(=O)N[C@@H]1[C@@H](OCCC(NS(C)(=O)=O)=Nc2ccccc2)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Show InChI InChI=1S/C21H29N3O10S/c1-12(26)22-18-15(10-16(21(29)30)34-20(18)19(28)14(27)11-25)33-9-8-17(24-35(2,31)32)23-13-6-4-3-5-7-13/h3-7,10,14-15,18-20,25,27-28H,8-9,11H2,1-2H3,(H,22,26)(H,23,24)(H,29,30)/t14-,15+,18-,19-,20-/m1/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.00E+5n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Human parainfluenza virus 1 sialidase using N-acetyl-alpha-neuramic acid by fluorometric assay


Bioorg Med Chem 19: 2418-27 (2011)

More data for this
Ligand-Target Pair
Hemagglutinin-neuraminidase


(Human parainfluenza virus 1)
BDBM50341458
PNG
(5-Acetamido-2,6-anhydro-3,5-dideoxy-4-[2-cyclohexe...)
Show SMILES CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(CC1=CCCCC1)NS(C)(=O)=O
Show InChI InChI=1S/C20H31N3O9S/c1-11(25)21-17-13(9-15(20(28)29)32-19(17)18(27)14(26)10-24)22-16(23-33(2,30)31)8-12-6-4-3-5-7-12/h6,9,13-14,17-19,24,26-27H,3-5,7-8,10H2,1-2H3,(H,21,25)(H,22,23)(H,28,29)/t13-,14+,17+,18+,19+/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+6n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Human parainfluenza virus 1 sialidase using N-acetyl-alpha-neuramic acid by fluorometric assay


Bioorg Med Chem 19: 2418-27 (2011)

More data for this
Ligand-Target Pair
Hemagglutinin-neuraminidase


(Human parainfluenza virus 1)
BDBM50341455
PNG
(5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(diethy...)
Show SMILES CCN(CC)C(NS(C)(=O)=O)C=CO[C@H]1C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C19H33N3O10S/c1-5-22(6-2)15(21-33(4,29)30)7-8-31-13-9-14(19(27)28)32-18(16(13)20-11(3)24)17(26)12(25)10-23/h7-9,12-13,15-18,21,23,25-26H,5-6,10H2,1-4H3,(H,20,24)(H,27,28)/t12-,13+,15?,16-,17-,18-/m1/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+6n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Human parainfluenza virus 1 sialidase using N-acetyl-alpha-neuramic acid by fluorometric assay


Bioorg Med Chem 19: 2418-27 (2011)

More data for this
Ligand-Target Pair
Hemagglutinin-neuraminidase


(Human parainfluenza virus 1)
BDBM50341449
PNG
(5-Acetamido-2,6-anhydro-3,5-dideoxy-4-[2-(4-fluoro...)
Show SMILES CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(Cc1ccc(F)cc1)NS(C)(=O)=O
Show InChI InChI=1S/C20H26FN3O9S/c1-10(26)22-17-13(8-15(20(29)30)33-19(17)18(28)14(27)9-25)23-16(24-34(2,31)32)7-11-3-5-12(21)6-4-11/h3-6,8,13-14,17-19,25,27-28H,7,9H2,1-2H3,(H,22,26)(H,23,24)(H,29,30)/t13-,14+,17+,18+,19+/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+6n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Human parainfluenza virus 1 sialidase using N-acetyl-alpha-neuramic acid by fluorometric assay


Bioorg Med Chem 19: 2418-27 (2011)

More data for this
Ligand-Target Pair
Hemagglutinin-neuraminidase


(Human parainfluenza virus 1)
BDBM50341459
PNG
((2R,3R,4S)-3-acetamido-4-(N'-(methylsulfonyl)-2-(4...)
Show SMILES CCCc1ccc(CC(NS(C)(=O)=O)=N[C@H]2C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(C)=O)C(O)=O)cc1
Show InChI InChI=1S/C23H33N3O9S/c1-4-5-14-6-8-15(9-7-14)10-19(26-36(3,33)34)25-16-11-18(23(31)32)35-22(20(16)24-13(2)28)21(30)17(29)12-27/h6-9,11,16-17,20-22,27,29-30H,4-5,10,12H2,1-3H3,(H,24,28)(H,25,26)(H,31,32)/t16-,17+,20+,21+,22+/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+6n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Human parainfluenza virus 1 sialidase using N-acetyl-alpha-neuramic acid by fluorometric assay


Bioorg Med Chem 19: 2418-27 (2011)

More data for this
Ligand-Target Pair
Hemagglutinin-neuraminidase


(Human parainfluenza virus 1)
BDBM50341457
PNG
(5-Acetamido-2,6-anhydro-3,5-dideoxy-4-[2-(thiophen...)
Show SMILES CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N=C(Cc1cccs1)NS(C)(=O)=O)C(O)=O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C18H25N3O9S2/c1-9(23)19-15-11(7-13(18(26)27)30-17(15)16(25)12(24)8-22)20-14(21-32(2,28)29)6-10-4-3-5-31-10/h3-5,7,11-12,15-17,22,24-25H,6,8H2,1-2H3,(H,19,23)(H,20,21)(H,26,27)/t11-,12+,15+,16+,17+/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+6n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Human parainfluenza virus 1 sialidase using N-acetyl-alpha-neuramic acid by fluorometric assay


Bioorg Med Chem 19: 2418-27 (2011)

More data for this
Ligand-Target Pair
Hemagglutinin-neuraminidase


(Human parainfluenza virus 1)
BDBM50341450
PNG
(5-Acetamido-2,6-anhydro-3,5-dideoxy-4-[2-phenyl-N'...)
Show SMILES CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N=C(Cc1ccccc1)NS(C)(=O)=O)C(O)=O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C20H27N3O9S/c1-11(25)21-17-13(9-15(20(28)29)32-19(17)18(27)14(26)10-24)22-16(23-33(2,30)31)8-12-6-4-3-5-7-12/h3-7,9,13-14,17-19,24,26-27H,8,10H2,1-2H3,(H,21,25)(H,22,23)(H,28,29)/t13-,14+,17+,18+,19+/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+6n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Human parainfluenza virus 1 sialidase using N-acetyl-alpha-neuramic acid by fluorometric assay


Bioorg Med Chem 19: 2418-27 (2011)

More data for this
Ligand-Target Pair
Hemagglutinin-neuraminidase


(Human parainfluenza virus 1)
BDBM50341452
PNG
(5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(diisop...)
Show SMILES CC(C)N(C(C)C)C(NS(=O)(=O)c1ccc(C)cc1)C=CO[C@H]1C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C27H41N3O10S/c1-15(2)30(16(3)4)23(29-41(37,38)19-9-7-17(5)8-10-19)11-12-39-21-13-22(27(35)36)40-26(24(21)28-18(6)32)25(34)20(33)14-31/h7-13,15-16,20-21,23-26,29,31,33-34H,14H2,1-6H3,(H,28,32)(H,35,36)/t20-,21+,23?,24-,25-,26-/m1/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80E+6n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Human parainfluenza virus 1 sialidase using N-acetyl-alpha-neuramic acid by fluorometric assay


Bioorg Med Chem 19: 2418-27 (2011)

More data for this
Ligand-Target Pair
Hemagglutinin-neuraminidase


(Human parainfluenza virus 1)
BDBM50341451
PNG
(5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(isopro...)
Show SMILES CC(C)N=C(CCO[C@H]1C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(C)=O)C(O)=O)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C24H35N3O10S/c1-13(2)25-20(27-38(34,35)16-7-5-14(3)6-8-16)9-10-36-18-11-19(24(32)33)37-23(21(18)26-15(4)29)22(31)17(30)12-28/h5-8,11,13,17-18,21-23,28,30-31H,9-10,12H2,1-4H3,(H,25,27)(H,26,29)(H,32,33)/t17-,18+,21-,22-,23-/m1/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.70E+6n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Human parainfluenza virus 1 sialidase using N-acetyl-alpha-neuramic acid by fluorometric assay


Bioorg Med Chem 19: 2418-27 (2011)

More data for this
Ligand-Target Pair
Hemagglutinin-neuraminidase


(Human parainfluenza virus 1)
BDBM50341453
PNG
(5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(diethy...)
Show SMILES CCN(CC)C(NS(=O)(=O)c1ccc(C)cc1)C=CO[C@H]1C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C25H37N3O10S/c1-5-28(6-2)21(27-39(35,36)17-9-7-15(3)8-10-17)11-12-37-19-13-20(25(33)34)38-24(22(19)26-16(4)30)23(32)18(31)14-29/h7-13,18-19,21-24,27,29,31-32H,5-6,14H2,1-4H3,(H,26,30)(H,33,34)/t18-,19+,21?,22-,23-,24-/m1/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.10E+6n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Human parainfluenza virus 1 sialidase using N-acetyl-alpha-neuramic acid by fluorometric assay


Bioorg Med Chem 19: 2418-27 (2011)

More data for this
Ligand-Target Pair
Hemagglutinin-neuraminidase


(Human parainfluenza virus 1)
BDBM50341456
PNG
(5-Acetamido-2,6-anhydro-3,5-dideoxy-4-[N'-(methyls...)
Show SMILES CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1N=C(C)NS(C)(=O)=O)C(O)=O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C14H23N3O9S/c1-6(17-27(3,24)25)15-8-4-10(14(22)23)26-13(11(8)16-7(2)19)12(21)9(20)5-18/h4,8-9,11-13,18,20-21H,5H2,1-3H3,(H,15,17)(H,16,19)(H,22,23)/t8-,9+,11+,12+,13+/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+7n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of Human parainfluenza virus 1 sialidase using N-acetyl-alpha-neuramic acid by fluorometric assay


Bioorg Med Chem 19: 2418-27 (2011)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM50320026
PNG
(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
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 30n/an/an/an/an/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)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM50320027
PNG
(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
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
Article
PubMed
n/an/an/a 11n/an/an/an/an/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)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM50320025
PNG
(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
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
Article
PubMed
n/an/an/a 7.80n/an/an/an/an/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)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM50320029
PNG
(CHEMBL1084192 | IDIAFSSLALADISR)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
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
Article
PubMed
n/an/an/a 19n/an/an/an/an/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)

More data for this
Ligand-Target Pair
Hemagglutinin


(Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)
BDBM50320028
PNG
(CHEMBL1084191 | GRVPVFGLSPLFKVE)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)C(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
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
Article
PubMed
n/an/an/a 7.80n/an/an/an/an/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)

More data for this
Ligand-Target Pair