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12 molecules are shown

Wt: 203.1
BDBM50065794
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Wt: 279.2
BDBM50065787
Wt: 291.3
BDBM50087421
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Wt: 354.3
BDBM50145358
Wt: 354.3
BDBM50145359
Wt: 384.3
BDBM50145360
Wt: 370.3
BDBM50145361
Wt: 354.3
BDBM50145364
Wt: 323.3
BDBM50145366
Wt: 354.3
BDBM50145371
Wt: 322.3
BDBM50317347
Wt: 188.1
BDBM50383268
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50065794,50065787,50087421,50145358,50145359,50145360,50145361,50145364,50145366,50145371,50317347,50383268   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50145366
PNG
(8-Hydroxy-2-(N'-phenyl-hydrazinocarbonyl)-quinolin...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NNc1ccccc1
Show InChI InChI=1S/C17H13N3O4/c21-15-12(17(23)24)8-6-10-7-9-13(18-14(10)15)16(22)20-19-11-4-2-1-3-5-11/h1-9,19,21H,(H,20,22)(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



CNRS UMR 8076

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.


Bioorg Med Chem Lett 14: 2473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.005
BindingDB Entry DOI: 10.7270/Q2RX9BH1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50383268
PNG
(CHEMBL2032371)
Show SMILES NC(=O)c1ccc2cccc(O)c2n1
Show InChI InChI=1S/C10H8N2O2/c11-10(14)7-5-4-6-2-1-3-8(13)9(6)12-7/h1-5,13H,(H2,11,14)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubated for 15 mins prior substrate addition measured after 45 mins by fluo...


J Med Chem 55: 2641-8 (2012)


Article DOI: 10.1021/jm2014698
BindingDB Entry DOI: 10.7270/Q2Q2418B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50145371
PNG
(2-(2,4-Dihydroxy-benzylcarbamoyl)-8-hydroxy-quinol...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1ccc(O)cc1O
Show InChI InChI=1S/C18H14N2O6/c21-11-4-1-10(14(22)7-11)8-19-17(24)13-6-3-9-2-5-12(18(25)26)16(23)15(9)20-13/h1-7,21-23H,8H2,(H,19,24)(H,25,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



CNRS UMR 8076

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.


Bioorg Med Chem Lett 14: 2473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.005
BindingDB Entry DOI: 10.7270/Q2RX9BH1
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50145364
PNG
(2-(3,5-Dihydroxy-benzylcarbamoyl)-8-hydroxy-quinol...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1cc(O)cc(O)c1
Show InChI InChI=1S/C18H14N2O6/c21-11-5-9(6-12(22)7-11)8-19-17(24)14-4-2-10-1-3-13(18(25)26)16(23)15(10)20-14/h1-7,21-23H,8H2,(H,19,24)(H,25,26)
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CNRS UMR 8076

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.


Bioorg Med Chem Lett 14: 2473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.005
BindingDB Entry DOI: 10.7270/Q2RX9BH1
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50145359
PNG
(2-(3,4-Dihydroxy-benzylcarbamoyl)-8-hydroxy-quinol...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H14N2O6/c21-13-6-1-9(7-14(13)22)8-19-17(24)12-5-3-10-2-4-11(18(25)26)16(23)15(10)20-12/h1-7,21-23H,8H2,(H,19,24)(H,25,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



CNRS UMR 8076

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.


Bioorg Med Chem Lett 14: 2473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.005
BindingDB Entry DOI: 10.7270/Q2RX9BH1
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50145361
PNG
(2-(3,4-Dihydroxy-5-methoxy-phenylcarbamoyl)-8-hydr...)
Show SMILES COc1cc(NC(=O)c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O
Show InChI InChI=1S/C18H14N2O7/c1-27-13-7-9(6-12(21)16(13)23)19-17(24)11-5-3-8-2-4-10(18(25)26)15(22)14(8)20-11/h2-7,21-23H,1H3,(H,19,24)(H,25,26)
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n/an/a 6.50E+3n/an/an/an/an/an/a



CNRS UMR 8076

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.


Bioorg Med Chem Lett 14: 2473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.005
BindingDB Entry DOI: 10.7270/Q2RX9BH1
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50087421
PNG
(8-Hydroxy-2-((E)-styryl)-quinoline-7-carboxylic ac...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccccc3)nc2c1O
Show InChI InChI=1S/C18H13NO3/c20-17-15(18(21)22)11-8-13-7-10-14(19-16(13)17)9-6-12-4-2-1-3-5-12/h1-11,20H,(H,21,22)/b9-6+
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n/an/a 5.30E+3n/an/an/an/an/an/a



CNRS UMR 8076

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.


Bioorg Med Chem Lett 14: 2473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.005
BindingDB Entry DOI: 10.7270/Q2RX9BH1
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50145358
PNG
(2-(2,3-Dihydroxy-benzylcarbamoyl)-8-hydroxy-quinol...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1cccc(O)c1O
Show InChI InChI=1S/C18H14N2O6/c21-13-3-1-2-10(15(13)22)8-19-17(24)12-7-5-9-4-6-11(18(25)26)16(23)14(9)20-12/h1-7,21-23H,8H2,(H,19,24)(H,25,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



CNRS UMR 8076

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.


Bioorg Med Chem Lett 14: 2473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.005
BindingDB Entry DOI: 10.7270/Q2RX9BH1
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50065787
PNG
(4-(2-(8-hydroxyquinolin-2-yl)vinyl)benzene-1,2-dio...)
Show SMILES Oc1ccc(\C=C\c2ccc3cccc(O)c3n2)cc1O
Show InChI InChI=1S/C17H13NO3/c19-14-9-5-11(10-16(14)21)4-7-13-8-6-12-2-1-3-15(20)17(12)18-13/h1-10,19-21H/b7-4+
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n/an/a 7.40E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
HIV integrase inhibitory potency of the compound was evaluated as IC50 on 3' processing of target DNA.


J Med Chem 41: 2846-57 (1998)


Article DOI: 10.1021/jm980043e
BindingDB Entry DOI: 10.7270/Q21Z43JH
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50065787
PNG
(4-(2-(8-hydroxyquinolin-2-yl)vinyl)benzene-1,2-dio...)
Show SMILES Oc1ccc(\C=C\c2ccc3cccc(O)c3n2)cc1O
Show InChI InChI=1S/C17H13NO3/c19-14-9-5-11(10-16(14)21)4-7-13-8-6-12-2-1-3-15(20)17(12)18-13/h1-10,19-21H/b7-4+
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n/an/a 2.40E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
In vitro anti-HIV integrase activity of the compound was tested against integration(strand transfer) of target plasmid.


J Med Chem 41: 2846-57 (1998)


Article DOI: 10.1021/jm980043e
BindingDB Entry DOI: 10.7270/Q21Z43JH
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50065794
PNG
(8-Hydroxy-2-methyl-quinoline-7-carboxylic acid | 8...)
Show SMILES Cc1ccc2ccc(C(O)=O)c(O)c2n1
Show InChI InChI=1S/C11H9NO3/c1-6-2-3-7-4-5-8(11(14)15)10(13)9(7)12-6/h2-5,13H,1H3,(H,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
HIV integrase inhibitory potency of the compound was evaluated as IC50 on 3' processing of target DNA.


J Med Chem 41: 2846-57 (1998)


Article DOI: 10.1021/jm980043e
BindingDB Entry DOI: 10.7270/Q21Z43JH
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50065794
PNG
(8-Hydroxy-2-methyl-quinoline-7-carboxylic acid | 8...)
Show SMILES Cc1ccc2ccc(C(O)=O)c(O)c2n1
Show InChI InChI=1S/C11H9NO3/c1-6-2-3-7-4-5-8(11(14)15)10(13)9(7)12-6/h2-5,13H,1H3,(H,14,15)
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n/an/a 1.14E+5n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
In vitro anti-HIV integrase activity of the compound was tested against integration(strand transfer) of target plasmid.


J Med Chem 41: 2846-57 (1998)


Article DOI: 10.1021/jm980043e
BindingDB Entry DOI: 10.7270/Q21Z43JH
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50065794
PNG
(8-Hydroxy-2-methyl-quinoline-7-carboxylic acid | 8...)
Show SMILES Cc1ccc2ccc(C(O)=O)c(O)c2n1
Show InChI InChI=1S/C11H9NO3/c1-6-2-3-7-4-5-8(11(14)15)10(13)9(7)12-6/h2-5,13H,1H3,(H,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


Article DOI: 10.1021/jm990467o
BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50065794
PNG
(8-Hydroxy-2-methyl-quinoline-7-carboxylic acid | 8...)
Show SMILES Cc1ccc2ccc(C(O)=O)c(O)c2n1
Show InChI InChI=1S/C11H9NO3/c1-6-2-3-7-4-5-8(11(14)15)10(13)9(7)12-6/h2-5,13H,1H3,(H,14,15)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


Article DOI: 10.1021/jm990467o
BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50087421
PNG
(8-Hydroxy-2-((E)-styryl)-quinoline-7-carboxylic ac...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccccc3)nc2c1O
Show InChI InChI=1S/C18H13NO3/c20-17-15(18(21)22)11-8-13-7-10-14(19-16(13)17)9-6-12-4-2-1-3-5-12/h1-11,20H,(H,21,22)/b9-6+
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n/an/a 2.10E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in strand transfer(integration)


J Med Chem 43: 1533-40 (2000)


Article DOI: 10.1021/jm990467o
BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50087421
PNG
(8-Hydroxy-2-((E)-styryl)-quinoline-7-carboxylic ac...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccccc3)nc2c1O
Show InChI InChI=1S/C18H13NO3/c20-17-15(18(21)22)11-8-13-7-10-14(19-16(13)17)9-6-12-4-2-1-3-5-12/h1-11,20H,(H,21,22)/b9-6+
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n/an/a 5.30E+3n/an/an/an/an/an/a



Université Paris-Sud

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Integrase in 3'-end- processing


J Med Chem 43: 1533-40 (2000)


Article DOI: 10.1021/jm990467o
BindingDB Entry DOI: 10.7270/Q2JS9PNQ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50145371
PNG
(2-(2,4-Dihydroxy-benzylcarbamoyl)-8-hydroxy-quinol...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1ccc(O)cc1O
Show InChI InChI=1S/C18H14N2O6/c21-11-4-1-10(14(22)7-11)8-19-17(24)13-6-3-9-2-5-12(18(25)26)16(23)15(9)20-13/h1-7,21-23H,8H2,(H,19,24)(H,25,26)
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Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM50145371
PNG
(2-(2,4-Dihydroxy-benzylcarbamoyl)-8-hydroxy-quinol...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1ccc(O)cc1O
Show InChI InChI=1S/C18H14N2O6/c21-11-4-1-10(14(22)7-11)8-19-17(24)13-6-3-9-2-5-12(18(25)26)16(23)15(9)20-13/h1-7,21-23H,8H2,(H,19,24)(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50145371
PNG
(2-(2,4-Dihydroxy-benzylcarbamoyl)-8-hydroxy-quinol...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1ccc(O)cc1O
Show InChI InChI=1S/C18H14N2O6/c21-11-4-1-10(14(22)7-11)8-19-17(24)13-6-3-9-2-5-12(18(25)26)16(23)15(9)20-13/h1-7,21-23H,8H2,(H,19,24)(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha/beta


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50065794
PNG
(8-Hydroxy-2-methyl-quinoline-7-carboxylic acid | 8...)
Show SMILES Cc1ccc2ccc(C(O)=O)c(O)c2n1
Show InChI InChI=1S/C11H9NO3/c1-6-2-3-7-4-5-8(11(14)15)10(13)9(7)12-6/h2-5,13H,1H3,(H,14,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50065787
PNG
(4-(2-(8-hydroxyquinolin-2-yl)vinyl)benzene-1,2-dio...)
Show SMILES Oc1ccc(\C=C\c2ccc3cccc(O)c3n2)cc1O
Show InChI InChI=1S/C17H13NO3/c19-14-9-5-11(10-16(14)21)4-7-13-8-6-12-2-1-3-15(20)17(12)18-13/h1-10,19-21H/b7-4+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50145359
PNG
(2-(3,4-Dihydroxy-benzylcarbamoyl)-8-hydroxy-quinol...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H14N2O6/c21-13-6-1-9(7-14(13)22)8-19-17(24)12-5-3-10-2-4-11(18(25)26)16(23)15(10)20-12/h1-7,21-23H,8H2,(H,19,24)(H,25,26)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50317347
PNG
(2-(4-hydroxybenzylcarbamoyl)quinoline-8-carboxylic...)
Show SMILES OC(=O)c1cccc2ccc(nc12)C(=O)NCc1ccc(O)cc1
Show InChI InChI=1S/C18H14N2O4/c21-13-7-4-11(5-8-13)10-19-17(22)15-9-6-12-2-1-3-14(18(23)24)16(12)20-15/h1-9,21H,10H2,(H,19,22)(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50087421
PNG
(8-Hydroxy-2-((E)-styryl)-quinoline-7-carboxylic ac...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccccc3)nc2c1O
Show InChI InChI=1S/C18H13NO3/c20-17-15(18(21)22)11-8-13-7-10-14(19-16(13)17)9-6-12-4-2-1-3-5-12/h1-11,20H,(H,21,22)/b9-6+
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n/an/a 3.20E+3n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50145358
PNG
(2-(2,3-Dihydroxy-benzylcarbamoyl)-8-hydroxy-quinol...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1cccc(O)c1O
Show InChI InChI=1S/C18H14N2O6/c21-13-3-1-2-10(15(13)22)8-19-17(24)12-7-5-9-4-6-11(18(25)26)16(23)14(9)20-12/h1-7,21-23H,8H2,(H,19,24)(H,25,26)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50145371
PNG
(2-(2,4-Dihydroxy-benzylcarbamoyl)-8-hydroxy-quinol...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1ccc(O)cc1O
Show InChI InChI=1S/C18H14N2O6/c21-11-4-1-10(14(22)7-11)8-19-17(24)13-6-3-9-2-5-12(18(25)26)16(23)15(9)20-13/h1-7,21-23H,8H2,(H,19,24)(H,25,26)
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n/an/a 200n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50145364
PNG
(2-(3,5-Dihydroxy-benzylcarbamoyl)-8-hydroxy-quinol...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1cc(O)cc(O)c1
Show InChI InChI=1S/C18H14N2O6/c21-11-5-9(6-12(22)7-11)8-19-17(24)14-4-2-10-1-3-13(18(25)26)16(23)15(10)20-14/h1-7,21-23H,8H2,(H,19,24)(H,25,26)
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n/an/a 600n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50145360
PNG
(2-(3,4-Dihydroxy-5-methoxy-benzylcarbamoyl)-8-hydr...)
Show SMILES COc1cc(CNC(=O)c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O
Show InChI InChI=1S/C19H16N2O7/c1-28-14-7-9(6-13(22)17(14)24)8-20-18(25)12-5-3-10-2-4-11(19(26)27)16(23)15(10)21-12/h2-7,22-24H,8H2,1H3,(H,20,25)(H,26,27)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50145361
PNG
(2-(3,4-Dihydroxy-5-methoxy-phenylcarbamoyl)-8-hydr...)
Show SMILES COc1cc(NC(=O)c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O
Show InChI InChI=1S/C18H14N2O7/c1-27-13-7-9(6-12(21)16(13)23)19-17(24)11-5-3-8-2-4-10(18(25)26)15(22)14(8)20-11/h2-7,21-23H,1H3,(H,19,24)(H,25,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50145366
PNG
(8-Hydroxy-2-(N'-phenyl-hydrazinocarbonyl)-quinolin...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NNc1ccccc1
Show InChI InChI=1S/C17H13N3O4/c21-15-12(17(23)24)8-6-10-7-9-13(18-14(10)15)16(22)20-19-11-4-2-1-3-5-11/h1-9,19,21H,(H,20,22)(H,23,24)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of PIM1


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha (CK1 Alpha)


(Homo sapiens (human))
BDBM50145371
PNG
(2-(2,4-Dihydroxy-benzylcarbamoyl)-8-hydroxy-quinol...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1ccc(O)cc1O
Show InChI InChI=1S/C18H14N2O6/c21-11-4-1-10(14(22)7-11)8-19-17(24)13-6-3-9-2-5-12(18(25)26)16(23)15(9)20-13/h1-7,21-23H,8H2,(H,19,24)(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of CK1


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Mus musculus)
BDBM50145371
PNG
(2-(2,4-Dihydroxy-benzylcarbamoyl)-8-hydroxy-quinol...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1ccc(O)cc1O
Show InChI InChI=1S/C18H14N2O6/c21-11-4-1-10(14(22)7-11)8-19-17(24)13-6-3-9-2-5-12(18(25)26)16(23)15(9)20-13/h1-7,21-23H,8H2,(H,19,24)(H,25,26)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of mouse DYRK1A expressed in Escherichia coli after 20 mins


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens)
BDBM50145371
PNG
(2-(2,4-Dihydroxy-benzylcarbamoyl)-8-hydroxy-quinol...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1ccc(O)cc1O
Show InChI InChI=1S/C18H14N2O6/c21-11-4-1-10(14(22)7-11)8-19-17(24)13-6-3-9-2-5-12(18(25)26)16(23)15(9)20-13/h1-7,21-23H,8H2,(H,19,24)(H,25,26)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of DYRK2


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50145371
PNG
(2-(2,4-Dihydroxy-benzylcarbamoyl)-8-hydroxy-quinol...)
Show SMILES OC(=O)c1ccc2ccc(nc2c1O)C(=O)NCc1ccc(O)cc1O
Show InChI InChI=1S/C18H14N2O6/c21-11-4-1-10(14(22)7-11)8-19-17(24)13-6-3-9-2-5-12(18(25)26)16(23)15(9)20-13/h1-7,21-23H,8H2,(H,19,24)(H,25,26)
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Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Inhibition of CLK1


Bioorg Med Chem Lett 20: 2801-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.061
BindingDB Entry DOI: 10.7270/Q2125STS
More data for this
Ligand-Target Pair
Rous sarcoma virus integrase


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
BDBM50065787
PNG
(4-(2-(8-hydroxyquinolin-2-yl)vinyl)benzene-1,2-dio...)
Show SMILES Oc1ccc(\C=C\c2ccc3cccc(O)c3n2)cc1O
Show InChI InChI=1S/C17H13NO3/c19-14-9-5-11(10-16(14)21)4-7-13-8-6-12-2-1-3-15(20)17(12)18-13/h1-10,19-21H/b7-4+
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n/an/a 6.51E+4n/an/an/an/an/an/a



CNRS UMR 8532

Curated by ChEMBL


Assay Description
Inhibition of rous sarcoma virus (RSV) Integrase.


J Med Chem 43: 1949-57 (2000)

Checked by Author
Article DOI: 10.1021/jm9911581
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
Rous sarcoma virus integrase


(Rous sarcoma virus (strain Prague C) (RSV-PrC))
BDBM50087421
PNG
(8-Hydroxy-2-((E)-styryl)-quinoline-7-carboxylic ac...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccccc3)nc2c1O
Show InChI InChI=1S/C18H13NO3/c20-17-15(18(21)22)11-8-13-7-10-14(19-16(13)17)9-6-12-4-2-1-3-5-12/h1-11,20H,(H,21,22)/b9-6+
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n/an/a 1.03E+4n/an/an/an/an/an/a



CNRS UMR 8532

Curated by ChEMBL


Assay Description
Inhibition of rous sarcoma virus (RSV) Integrase.


J Med Chem 43: 1949-57 (2000)

Checked by Author
Article DOI: 10.1021/jm9911581
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50087421
PNG
(8-Hydroxy-2-((E)-styryl)-quinoline-7-carboxylic ac...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccccc3)nc2c1O
Show InChI InChI=1S/C18H13NO3/c20-17-15(18(21)22)11-8-13-7-10-14(19-16(13)17)9-6-12-4-2-1-3-5-12/h1-11,20H,(H,21,22)/b9-6+
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n/an/a 3.40E+3n/an/an/an/an/an/a



CNRS UMR 8532

Curated by ChEMBL


Assay Description
Compound was tested in vitro to inhibit human immuno virus-1 (HIV-1) using enzymatic disintegration assay.


J Med Chem 43: 1949-57 (2000)

Checked by Author
Article DOI: 10.1021/jm9911581
BindingDB Entry DOI: 10.7270/Q2RB759N
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50145360
PNG
(2-(3,4-Dihydroxy-5-methoxy-benzylcarbamoyl)-8-hydr...)
Show SMILES COc1cc(CNC(=O)c2ccc3ccc(C(O)=O)c(O)c3n2)cc(O)c1O
Show InChI InChI=1S/C19H16N2O7/c1-28-14-7-9(6-13(22)17(14)24)8-20-18(25)12-5-3-10-2-4-11(19(26)27)16(23)15(10)21-12/h2-7,22-24H,8H2,1H3,(H,20,25)(H,26,27)
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n/an/a 6.50E+3n/an/an/an/an/an/a



CNRS UMR 8076

Curated by ChEMBL


Assay Description
In vitro inhibition of recombinant integrase activity in a standard 3'-processing assay.


Bioorg Med Chem Lett 14: 2473-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.005
BindingDB Entry DOI: 10.7270/Q2RX9BH1
More data for this
Ligand-Target Pair