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PubMed code 28118010

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
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
PA/PB1


(Hepatitis C virus)
BDBM50385568
PNG
(CHEMBL2040640)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCCN(C1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H24ClNO6S/c24-19-9-7-17(8-10-19)14-23(21(27)13-20(26)22(28)29)11-4-12-25(16-23)32(30,31)15-18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2,(H,28,29)
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n/an/a 190n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/PR/8/34) PA endonuclease using ALMV cap1 primer RNA as substrate


J Med Chem 60: 3533-3551 (2017)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385503
PNG
(CHEMBL2040554)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C23H30ClNO4/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/h6-9,18H,1-5,10-16H2,(H,28,29)
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n/an/a 320n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Binding affinity was determined against hPR-A (human progesterone receptor) using progesterone radioligand in competitive binding assay


J Med Chem 60: 3533-3551 (2017)

More data for this
Ligand-Target Pair
PA/PB1


(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-
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n/an/a 430n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/PR/8/34) PA endonuclease using ALMV cap1 primer RNA as substrate


J Med Chem 60: 3533-3551 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PA/PB1


(Hepatitis C virus)
BDBM50385528
PNG
(CHEMBL2040586)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H23Cl2NO4/c24-18-5-1-16(2-6-18)14-23(21(28)13-20(27)22(29)30)9-11-26(12-10-23)15-17-3-7-19(25)8-4-17/h1-8H,9-15H2,(H,29,30)
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n/an/a 540n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/PR/8/34) PA endonuclease using ALMV cap1 primer RNA as substrate


J Med Chem 60: 3533-3551 (2017)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385531
PNG
(CHEMBL2040602)
Show SMILES COc1ccc(C=c2[nH]c(=CC(C)C)c(=O)n(O)c2=O)cc1
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
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n/an/a 800n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Agonist activity was determined against hPR (human progesterone receptor) compared to that of progesterone (100%)


J Med Chem 60: 3533-3551 (2017)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125833
PNG
(3-(4-Fluoro-benzylidene)-1-hydroxy-5-isobutyl-3H-p...)
Show SMILES CC(C)C=c1[nH]c(=Cc2ccc(F)cc2)c(=O)n(O)c1=O
Show InChI InChI=1S/C15H15FN2O3/c1-9(2)7-12-14(19)18(21)15(20)13(17-12)8-10-3-5-11(16)6-4-10/h3-9,17,21H,1-2H3
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n/an/a 900n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/PR/8/34) N-terminal PA endonuclease using 880 nucleotide ALMV cap1 primer RNA as substrate


J Med Chem 60: 3533-3551 (2017)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385529
PNG
(CHEMBL2040587)
Show SMILES OC(=O)C(=O)CC(=O)C1(Cc2ccc(Cl)cc2)CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H24ClNO4/c24-19-9-7-17(8-10-19)14-23(21(27)13-20(26)22(28)29)11-4-12-25(16-23)15-18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2,(H,28,29)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/PR/8/34) PA endonuclease using ALMV cap1 primer RNA as substrate


J Med Chem 60: 3533-3551 (2017)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385534
PNG
(CHEMBL2040605)
Show SMILES COc1ccc(C=c2[nH]c(=Cc3ccccc3)c(=O)n(O)c2=O)cc1
Show InChI InChI=1S/C19H16N2O4/c1-25-15-9-7-14(8-10-15)12-17-19(23)21(24)18(22)16(20-17)11-13-5-3-2-4-6-13/h2-12,20,24H,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/PR/8/34) N-terminal PA endonuclease using 880 nucleotide ALMV cap1 primer RNA as substrate


J Med Chem 60: 3533-3551 (2017)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50385535
PNG
(CHEMBL2040606)
Show SMILES On1c(=O)c(=Cc2ccccc2)[nH]c(=Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C18H13FN2O3/c19-14-8-6-13(7-9-14)11-16-18(23)21(24)17(22)15(20-16)10-12-4-2-1-3-5-12/h1-11,20,24H
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n/an/a 3.50E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/PR/8/34) N-terminal PA endonuclease using 880 nucleotide ALMV cap1 primer RNA as substrate


J Med Chem 60: 3533-3551 (2017)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM50125822
PNG
(1-Hydroxy-5-isobutyl-3-isobutylidene-3H-pyrazine-2...)
Show SMILES CC(C)C=c1[nH]c(=CC(C)C)c(=O)n(O)c1=O
Show InChI InChI=1S/C12H18N2O3/c1-7(2)5-9-11(15)14(17)12(16)10(13-9)6-8(3)4/h5-8,13,17H,1-4H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/PR/8/34) N-terminal PA endonuclease using 880 nucleotide ALMV cap1 primer RNA as substrate


J Med Chem 60: 3533-3551 (2017)

More data for this
Ligand-Target Pair
PA/PB1


(Hepatitis C virus)
BDBM33410
PNG
(CHEMBL16755 | N-hydroxyisoquinolinedione, 2)
Show SMILES ON1C(=O)Cc2ccccc2C1=O
Show InChI InChI=1S/C9H7NO3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-4,13H,5H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus (A/PR/8/34) PA endonuclease using ALMV cap1 primer RNA as substrate after 90 mins by scintillation counting


J Med Chem 60: 3533-3551 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%