BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 183 hits with Last Name = 'yoshinaga' and Initial = 't'   
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
Integrase


(Human immunodeficiency virus 1)		BDBM50483553
PNG
(CHEBI:76007 | Dolutegravir Sodium | GSK1349572 | G...)
Show SMILES [Na;v0+].[H][C@]12[#6]-n3cc(-[#6](=O)-[#7]-[#6]-c4ccc(F)cc4F)c(=O)c(-[#8-])c3-[#6](=O)-[#7]1-[#6@H](-[#6])-[#6]-[#6]-[#8]2 |r|
Show InChI InChI=1S/C20H19F2N3O5.Na/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22;/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28);/q;+1/p-1/t10-,15+;/m1./s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of Human immunodeficiency virus 1 Integrase using [3H]labeled target DNA as substrate after 45 mins by scintil...

Antimicrob Agents Chemother 55: 813-21 (2011)


Article DOI: 10.1128/AAC.01209-10
BindingDB Entry DOI: 10.7270/Q2RX9FXN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50062551
PNG
(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Show SMILES [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r|
Show InChI InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured afte...

J Med Chem 56: 5901-16 (2013)


Article DOI: 10.1021/jm400645w
BindingDB Entry DOI: 10.7270/Q21G0Q64
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Integrase


(Human immunodeficiency virus 1)		BDBM50492496
PNG
(Cabotegravir | GSK-1265744A | GSK1265744 | GSK1265...)
Show SMILES [H][C@@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@@H](C)CO2 |r|
Show InChI InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured afte...

J Med Chem 56: 5901-16 (2013)


Article DOI: 10.1021/jm400645w
BindingDB Entry DOI: 10.7270/Q21G0Q64
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM25351
PNG
(N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...)
Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase by strand transfer scintillation proximity assay

Antimicrob Agents Chemother 52: 901-8 (2008)


Article DOI: 10.1128/aac.01218-07
BindingDB Entry DOI: 10.7270/Q2JQ13VN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50480673
PNG
(Isentress | Isentress hd | MK-0518 | MK-0518 POTAS...)
Show SMILES [K;v0+].[#6]-c1nnc(o1)-[#6](=O)-[#7]C([#6])([#6])c1nc(-[#6](=O)-[#7]-[#6]-c2ccc(F)cc2)c(-[#8-])c(=O)n1-[#6]
Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)/p-1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of Human immunodeficiency virus 1 Integrase using [3H]labeled target DNA as substrate after 45 mins by scintil...

Antimicrob Agents Chemother 55: 813-21 (2011)


Article DOI: 10.1128/AAC.01209-10
BindingDB Entry DOI: 10.7270/Q2RX9FXN
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508967
PNG
(CHEMBL3944613)
Show SMILES OC(=O)c1cn(CC2(CCCC2)n2ccc3cccnc23)cc(O)c1=O
Show InChI InChI=1S/C19H19N3O4/c23-15-11-21(10-14(16(15)24)18(25)26)12-19(6-1-2-7-19)22-9-5-13-4-3-8-20-17(13)22/h3-5,8-11,23H,1-2,6-7,12H2,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50492497
PNG
(CHEMBL2403118)
Show SMILES [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4)c(=O)c(O)c3C(=O)N1CC[C@@H](C)O2 |r|
Show InChI InChI=1S/C20H20FN3O5/c1-11-6-7-24-15(29-11)10-23-9-14(17(25)18(26)16(23)20(24)28)19(27)22-8-12-2-4-13(21)5-3-12/h2-5,9,11,15,26H,6-8,10H2,1H3,(H,22,27)/t11-,15+/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity using [3H]-DNA as substrate preincubated for 60 mins prior to substrate addition measured afte...

J Med Chem 56: 5901-16 (2013)


Article DOI: 10.1021/jm400645w
BindingDB Entry DOI: 10.7270/Q21G0Q64
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50183273
PNG
((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r|
Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of Human immunodeficiency virus 1 Integrase using [3H]labeled target DNA as substrate after 45 mins by scintil...

Antimicrob Agents Chemother 55: 813-21 (2011)


Article DOI: 10.1128/AAC.01209-10
BindingDB Entry DOI: 10.7270/Q2RX9FXN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50183273
PNG
((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r|
Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase by strand transfer scintillation proximity assay

Antimicrob Agents Chemother 52: 901-8 (2008)


Article DOI: 10.1128/aac.01218-07
BindingDB Entry DOI: 10.7270/Q2JQ13VN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50045107
PNG
(CHEMBL1256978 | GSK364735)
Show SMILES Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCO)c1=O
Show InChI InChI=1S/C19H18FN3O4/c1-23-14-9-12(8-11-2-4-13(20)5-3-11)10-22-16(14)17(25)15(19(23)27)18(26)21-6-7-24/h2-5,9-10,24-25H,6-8H2,1H3,(H,21,26)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase by strand transfer scintillation proximity assay

Antimicrob Agents Chemother 52: 901-8 (2008)


Article DOI: 10.1128/aac.01218-07
BindingDB Entry DOI: 10.7270/Q2JQ13VN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50021581
PNG
(CHEMBL414850 | L-870810)
Show SMILES O\C(=N/Cc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 9.90n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase by strand transfer scintillation proximity assay

Antimicrob Agents Chemother 52: 901-8 (2008)


Article DOI: 10.1128/aac.01218-07
BindingDB Entry DOI: 10.7270/Q2JQ13VN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50485874
PNG
(CHEMBL2171671)
Show SMILES OC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O
Show InChI InChI=1S/C14H11FN2O5/c15-8-3-1-7(2-4-8)5-17-13(20)9-6-16-10(14(21)22)12(19)11(9)18/h1-4,6,19H,5H2,(H,16,18)(H,17,20)(H,21,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...

J Med Chem 55: 8735-44 (2012)


Article DOI: 10.1021/jm3010459
BindingDB Entry DOI: 10.7270/Q27M0BTW
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM105203
PNG
(6-(4-Fluorophenyl)-3-hydroxy-5-[4-(1H-1, 2, 3, 4-t...)
Show SMILES Oc1cc(-c2ccc(cc2)-c2nnn[nH]2)c([nH]c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H12FN5O2/c19-13-7-5-11(6-8-13)16-14(9-15(25)18(26)20-16)10-1-3-12(4-2-10)17-21-23-24-22-17/h1-9,25H,(H,20,26)(H,21,22,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50045107
PNG
(CHEMBL1256978 | GSK364735)
Show SMILES Cn1c2cc(Cc3ccc(F)cc3)cnc2c(O)c(C(=O)NCCO)c1=O
Show InChI InChI=1S/C19H18FN3O4/c1-23-14-9-12(8-11-2-4-13(20)5-3-11)10-22-16(14)17(25)15(19(23)27)18(26)21-6-7-24/h2-5,9-10,24-25H,6-8H2,1H3,(H,21,26)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 20 nM [3H]GSK304649 from Human immunodeficiency virus 1 integrase by scintillation proximity assay

Antimicrob Agents Chemother 52: 901-8 (2008)


Article DOI: 10.1128/aac.01218-07
BindingDB Entry DOI: 10.7270/Q2JQ13VN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50183273
PNG
((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r|
Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 20 nM [3H]GSK304649 from Human immunodeficiency virus 1 integrase by scintillation proximity assay

Antimicrob Agents Chemother 52: 901-8 (2008)


Article DOI: 10.1128/aac.01218-07
BindingDB Entry DOI: 10.7270/Q2JQ13VN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50021581
PNG
(CHEMBL414850 | L-870810)
Show SMILES O\C(=N/Cc1ccc(F)cc1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O
Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 20 nM [3H]GSK304649 from Human immunodeficiency virus 1 integrase by scintillation proximity assay

Antimicrob Agents Chemother 52: 901-8 (2008)


Article DOI: 10.1128/aac.01218-07
BindingDB Entry DOI: 10.7270/Q2JQ13VN
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508966
PNG
(CHEMBL4452342)
Show SMILES CN(Cc1cc(=O)c(O)cn1-c1ccc(cc1)-c1nnn[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN6O2/c1-26(15-8-4-14(21)5-9-15)11-17-10-18(28)19(29)12-27(17)16-6-2-13(3-7-16)20-22-24-25-23-20/h2-10,12,29H,11H2,1H3,(H,22,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM25351
PNG
(N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...)
Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of 20 nM [3H]GSK304649 from Human immunodeficiency virus 1 integrase by scintillation proximity assay

Antimicrob Agents Chemother 52: 901-8 (2008)


Article DOI: 10.1128/aac.01218-07
BindingDB Entry DOI: 10.7270/Q2JQ13VN
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50485875
PNG
(CHEMBL2171670)
Show SMILES COC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O
Show InChI InChI=1S/C15H13FN2O5/c1-23-15(22)11-13(20)12(19)10(7-17-11)14(21)18-6-8-2-4-9(16)5-3-8/h2-5,7,20H,6H2,1H3,(H,17,19)(H,18,21)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...

J Med Chem 55: 8735-44 (2012)


Article DOI: 10.1021/jm3010459
BindingDB Entry DOI: 10.7270/Q27M0BTW
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508959
PNG
(CHEMBL4439208)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C25H24N2O6/c1-33-13-12-26-15-19(20(16-8-4-2-5-9-16)17-10-6-3-7-11-17)27-14-18(25(31)32)22(28)23(29)21(27)24(26)30/h2-11,14,19-20,29H,12-13,15H2,1H3,(H,31,32)/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508952
PNG
(CHEMBL4513495)
Show SMILES CN1C[C@H](C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C22H20N2O3/c1-23-14-17(24-13-12-18(25)21(26)20(24)22(23)27)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,17,19,26H,14H2,1H3/t17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508974
PNG
(CHEMBL4462899)
Show SMILES COCCN1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H23N3O4/c1-30-15-14-24-16-26(25-13-12-19(27)22(28)21(25)23(24)29)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,20,28H,14-16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 103n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508951
PNG
(CHEMBL4593284)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(OC)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C25H26N2O5/c1-31-14-13-26-15-19(27-16-20(32-2)23(28)24(29)22(27)25(26)30)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19,21,29H,13-15H2,1-2H3/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508969
PNG
(CHEMBL4452525)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(Cl)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C24H23ClN2O4/c1-31-13-12-26-15-19(27-14-18(25)22(28)23(29)21(27)24(26)30)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,19-20,29H,12-13,15H2,1H3/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 114n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508973
PNG
(CHEMBL4468072)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C24H24N2O4/c1-30-15-14-25-16-19(26-13-12-20(27)23(28)22(26)24(25)29)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,19,21,28H,14-16H2,1H3/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 115n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508968
PNG
(CHEMBL4471885)
Show SMILES COCCN1CN(C(c2ccccc2)c2ccccc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C24H23N3O6/c1-33-13-12-25-15-27(19(16-8-4-2-5-9-16)17-10-6-3-7-11-17)26-14-18(24(31)32)21(28)22(29)20(26)23(25)30/h2-11,14,19,29H,12-13,15H2,1H3,(H,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 116n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50485873
PNG
(CHEMBL2171665)
Show SMILES COCCNC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O
Show InChI InChI=1S/C17H18FN3O5/c1-26-7-6-19-17(25)13-15(23)14(22)12(9-20-13)16(24)21-8-10-2-4-11(18)5-3-10/h2-5,9,23H,6-8H2,1H3,(H,19,25)(H,20,22)(H,21,24)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...

J Med Chem 55: 8735-44 (2012)


Article DOI: 10.1021/jm3010459
BindingDB Entry DOI: 10.7270/Q27M0BTW
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508976
PNG
(CHEMBL4440459)
Show SMILES CN1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H19N3O3/c1-22-14-24(23-13-12-17(25)20(26)19(23)21(22)27)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18,26H,14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 164n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508963
PNG
(CHEMBL4539860)
Show SMILES CC(C)N1C[C@H](C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C24H24N2O3/c1-16(2)26-15-19(25-14-13-20(27)23(28)22(25)24(26)29)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,19,21,28H,15H2,1-2H3/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 239n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508970
PNG
(CHEMBL4463676)
Show SMILES COCCN1C[C@H](Cc2ccccc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C19H20N2O6/c1-27-8-7-20-10-13(9-12-5-3-2-4-6-12)21-11-14(19(25)26)16(22)17(23)15(21)18(20)24/h2-6,11,13,23H,7-10H2,1H3,(H,25,26)/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 241n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM346898
PNG
(US10202379, Reference Example 557)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(C)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C25H26N2O4/c1-17-15-27-20(16-26(13-14-31-2)25(30)22(27)24(29)23(17)28)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15,20-21,29H,13-14,16H2,1-2H3/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 281n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508964
PNG
(CHEMBL4465872)
Show SMILES CC(C)N1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H23N3O3/c1-16(2)24-15-26(25-14-13-19(27)22(28)21(25)23(24)29)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,20,28H,15H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 286n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508960
PNG
(CHEMBL4473580)
Show SMILES CCOC(=O)c1cn2[C@H](CN(CCOC)C(=O)c2c(O)c1=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H28N2O6/c1-3-35-27(33)20-16-29-21(17-28(14-15-34-2)26(32)23(29)25(31)24(20)30)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16,21-22,31H,3,14-15,17H2,1-2H3/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 298n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50485877
PNG
(CHEMBL2171666)
Show SMILES OCCNC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O
Show InChI InChI=1S/C16H16FN3O5/c17-10-3-1-9(2-4-10)7-20-15(24)11-8-19-12(14(23)13(11)22)16(25)18-5-6-21/h1-4,8,21,23H,5-7H2,(H,18,25)(H,19,22)(H,20,24)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...

J Med Chem 55: 8735-44 (2012)


Article DOI: 10.1021/jm3010459
BindingDB Entry DOI: 10.7270/Q27M0BTW
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508962
PNG
(CHEMBL4439050)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(N)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C24H25N3O4/c1-31-13-12-26-15-19(27-14-18(25)22(28)23(29)21(27)24(26)30)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,19-20,29H,12-13,15,25H2,1H3/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 358n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50485876
PNG
(CHEMBL2171667)
Show SMILES NC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O
Show InChI InChI=1S/C14H12FN3O4/c15-8-3-1-7(2-4-8)5-18-14(22)9-6-17-10(13(16)21)12(20)11(9)19/h1-4,6,20H,5H2,(H2,16,21)(H,17,19)(H,18,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...

J Med Chem 55: 8735-44 (2012)


Article DOI: 10.1021/jm3010459
BindingDB Entry DOI: 10.7270/Q27M0BTW
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508971
PNG
(CHEMBL4535763)
Show SMILES COCCN1CN(Cc2ccc(F)cc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C18H18FN3O6/c1-28-7-6-20-10-21(8-11-2-4-12(19)5-3-11)22-9-13(18(26)27)15(23)16(24)14(22)17(20)25/h2-5,9,24H,6-8,10H2,1H3,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 419n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50122448
PNG
(CHEMBL463590 | L-742001)
Show SMILES OC(=O)C(\O)=C\C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14,26H,10-13,15-16H2,(H,28,29)/b20-14-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508975
PNG
(CHEMBL4457315)
Show SMILES Oc1cc2cc(ccc2oc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H9FO3/c16-12-4-1-9(2-5-12)10-3-6-14-11(7-10)8-13(17)15(18)19-14/h1-8,17H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50485871
PNG
(CHEMBL2171669)
Show SMILES CN(C)C(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O
Show InChI InChI=1S/C16H16FN3O4/c1-20(2)16(24)12-14(22)13(21)11(8-18-12)15(23)19-7-9-3-5-10(17)6-4-9/h3-6,8,22H,7H2,1-2H3,(H,18,21)(H,19,23)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...

J Med Chem 55: 8735-44 (2012)


Article DOI: 10.1021/jm3010459
BindingDB Entry DOI: 10.7270/Q27M0BTW
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508965
PNG
(CHEMBL4521905)
Show SMILES Oc1c2C(=O)N(Cc3ccco3)CN(C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C25H21N3O4/c29-21-13-14-27-23(24(21)30)25(31)26(16-20-12-7-15-32-20)17-28(27)22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-15,22,30H,16-17H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 588n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50385531
PNG
(CHEMBL2040602)
Show SMILES COc1ccc(C=c2[nH]c(=CC(C)C)c(=O)n(O)c2=O)cc1 |w:10.10,6.5|
Show InChI InChI=1S/C16H18N2O4/c1-10(2)8-13-15(19)18(21)16(20)14(17-13)9-11-4-6-12(22-3)7-5-11/h4-10,17,21H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50390688
PNG
(CHEMBL2070214)
Show SMILES Oc1ccc(CCNC(=O)c2cc3cc(O)c(O)cc3[nH]2)cc1O
Show InChI InChI=1S/C17H16N2O5/c20-13-2-1-9(5-14(13)21)3-4-18-17(24)12-6-10-7-15(22)16(23)8-11(10)19-12/h1-2,5-8,19-23H,3-4H2,(H,18,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 940n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50485872
PNG
(CHEMBL2171668)
Show SMILES CNC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1O
Show InChI InChI=1S/C15H14FN3O4/c1-17-15(23)11-13(21)12(20)10(7-18-11)14(22)19-6-8-2-4-9(16)5-3-8/h2-5,7,21H,6H2,1H3,(H,17,23)(H,18,20)(H,19,22)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity using pre-incubation and wash with Mg2+ cofactor by ELISA based microtiter plate integration as...

J Med Chem 55: 8735-44 (2012)


Article DOI: 10.1021/jm3010459
BindingDB Entry DOI: 10.7270/Q27M0BTW
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508957
PNG
(CHEMBL4466776)
Show SMILES COCCN1C[C@H](CCc2ccccc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C20H22N2O6/c1-28-10-9-21-11-14(8-7-13-5-3-2-4-6-13)22-12-15(20(26)27)17(23)18(24)16(22)19(21)25/h2-6,12,14,24H,7-11H2,1H3,(H,26,27)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.35E+3n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508961
PNG
(CHEMBL4449735)
Show SMILES CNC(=O)c1cn2[C@H](CN(CCOC)C(=O)c2c(O)c1=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H27N3O5/c1-27-25(32)19-15-29-20(16-28(13-14-34-2)26(33)22(29)24(31)23(19)30)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15,20-21,31H,13-14,16H2,1-2H3,(H,27,32)/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50122448
PNG
(CHEMBL463590 | L-742001)
Show SMILES OC(=O)C(\O)=C\C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14,26H,10-13,15-16H2,(H,28,29)/b20-14-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
PDB
Article
PubMed
n/an/a 2.21E+3n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508972
PNG
(CHEMBL4589956)
Show SMILES COCCN1C[C@H](C(C)C)n2cc(C(O)=O)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C15H20N2O6/c1-8(2)10-7-16(4-5-23-3)14(20)11-13(19)12(18)9(15(21)22)6-17(10)11/h6,8,10,19H,4-5,7H2,1-3H3,(H,21,22)/t10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.99E+3n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508958
PNG
(CHEMBL4586765)
Show SMILES COCCN1C[C@H](CC(C)C)n2cc(C(O)=O)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C16H22N2O6/c1-9(2)6-10-7-17(4-5-24-3)15(21)12-14(20)13(19)11(16(22)23)8-18(10)12/h8-10,20H,4-7H2,1-3H3,(H,22,23)/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.31E+3n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)		BDBM50508955
PNG
(CHEMBL4474376)
Show SMILES COCCN1C[C@@H](Cc2ccccc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C19H20N2O6/c1-27-8-7-20-10-13(9-12-5-3-2-4-6-12)21-11-14(19(25)26)16(22)17(23)15(21)18(20)24/h2-6,11,13,23H,7-10H2,1H3,(H,25,26)/t13-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.74E+4n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...

J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 183 total )  |  Next  |  Last  >>
Jump to: