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PubMed code 25150089

Compile data set for download or QSAR
Found 42 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
Integrase


(Human immunodeficiency virus 1)		BDBM50023423
PNG
(CHEMBL3334635)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1ccc(Br)cc1
Show InChI InChI=1S/C18H13BrFN3O3/c19-12-5-1-10(2-6-12)9-21-17(25)14-15(24)18(26)23-16(22-14)11-3-7-13(20)8-4-11/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 500n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023421
PNG
(CHEMBL3334637)
Show SMILES Cc1ccc(CNC(=O)c2nc([nH]c(=O)c2O)-c2ccc(F)cc2)cc1C
Show InChI InChI=1S/C20H18FN3O3/c1-11-3-4-13(9-12(11)2)10-22-19(26)16-17(25)20(27)24-18(23-16)14-5-7-15(21)8-6-14/h3-9,25H,10H2,1-2H3,(H,22,26)(H,23,24,27)
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n/an/a 500n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023425
PNG
(CHEMBL3334633)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C18H13F2N3O3/c19-12-5-1-10(2-6-12)9-21-17(25)14-15(24)18(26)23-16(22-14)11-3-7-13(20)8-4-11/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 600n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023424
PNG
(CHEMBL3334634)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-5-1-10(2-6-12)9-21-17(25)14-15(24)18(26)23-16(22-14)11-3-7-13(20)8-4-11/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 800n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023426
PNG
(CHEMBL3334652)
Show SMILES Oc1c(nc([nH]c1=O)-c1cccc(F)c1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C18H13F2N3O3/c19-12-6-4-10(5-7-12)9-21-17(25)14-15(24)18(26)23-16(22-14)11-2-1-3-13(20)8-11/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023427
PNG
(CHEMBL3334651)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(Br)cc1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C18H13BrFN3O3/c19-12-5-3-11(4-6-12)16-22-14(15(24)18(26)23-16)17(25)21-9-10-1-7-13(20)8-2-10/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023431
PNG
(CHEMBL3334647)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccccc1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C18H14FN3O3/c19-13-8-6-11(7-9-13)10-20-17(24)14-15(23)18(25)22-16(21-14)12-4-2-1-3-5-12/h1-9,23H,10H2,(H,20,24)(H,21,22,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023422
PNG
(CHEMBL3334636)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1ccc(F)c(F)c1
Show InChI InChI=1S/C18H12F3N3O3/c19-11-4-2-10(3-5-11)16-23-14(15(25)18(27)24-16)17(26)22-8-9-1-6-12(20)13(21)7-9/h1-7,25H,8H2,(H,22,26)(H,23,24,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023439
PNG
(CHEMBL3334640)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-3-1-2-10(8-12)9-21-17(25)14-15(24)18(26)23-16(22-14)11-4-6-13(20)7-5-11/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023435
PNG
(CHEMBL3334644)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C18H12ClF2N3O3/c19-12-3-1-2-10(13(12)21)8-22-17(26)14-15(25)18(27)24-16(23-14)9-4-6-11(20)7-5-9/h1-7,25H,8H2,(H,22,26)(H,23,24,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023428
PNG
(CHEMBL3334650)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccccc1F)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C18H13F2N3O3/c19-11-7-5-10(6-8-11)9-21-17(25)14-15(24)18(26)23-16(22-14)12-3-1-2-4-13(12)20/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023429
PNG
(CHEMBL3334649)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-5-3-11(4-6-12)16-22-14(15(24)18(26)23-16)17(25)21-9-10-1-7-13(20)8-2-10/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023441
PNG
(CHEMBL3334638)
Show SMILES COc1ccc(CNC(=O)c2nc([nH]c(=O)c2O)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H16FN3O4/c1-27-14-8-2-11(3-9-14)10-21-18(25)15-16(24)19(26)23-17(22-15)12-4-6-13(20)7-5-12/h2-9,24H,10H2,1H3,(H,21,25)(H,22,23,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023427
PNG
(CHEMBL3334651)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(Br)cc1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C18H13BrFN3O3/c19-12-5-3-11(4-6-12)16-22-14(15(24)18(26)23-16)17(25)21-9-10-1-7-13(20)8-2-10/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023437
PNG
(CHEMBL3334642)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C18H13F2N3O3/c19-12-6-4-11(5-7-12)16-22-14(15(24)18(26)23-16)17(25)21-9-10-2-1-3-13(20)8-10/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023440
PNG
(CHEMBL3334639)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCCc1ccc(F)cc1
Show InChI InChI=1S/C19H15F2N3O3/c20-13-5-1-11(2-6-13)9-10-22-18(26)15-16(25)19(27)24-17(23-15)12-3-7-14(21)8-4-12/h1-8,25H,9-10H2,(H,22,26)(H,23,24,27)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023434
PNG
(CHEMBL3334645)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClF2N3O3/c19-12-7-9(1-6-13(12)21)8-22-17(26)14-15(25)18(27)24-16(23-14)10-2-4-11(20)5-3-10/h1-7,25H,8H2,(H,22,26)(H,23,24,27)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023429
PNG
(CHEMBL3334649)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(Cl)cc1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-5-3-11(4-6-12)16-22-14(15(24)18(26)23-16)17(25)21-9-10-1-7-13(20)8-2-10/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023426
PNG
(CHEMBL3334652)
Show SMILES Oc1c(nc([nH]c1=O)-c1cccc(F)c1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C18H13F2N3O3/c19-12-6-4-10(5-7-12)9-21-17(25)14-15(24)18(26)23-16(22-14)11-2-1-3-13(20)8-11/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023434
PNG
(CHEMBL3334645)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C18H12ClF2N3O3/c19-12-7-9(1-6-13(12)21)8-22-17(26)14-15(25)18(27)24-16(23-14)10-2-4-11(20)5-3-10/h1-7,25H,8H2,(H,22,26)(H,23,24,27)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023438
PNG
(CHEMBL3334641)
Show SMILES Oc1ccc(CNC(=O)c2nc([nH]c(=O)c2O)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H14FN3O4/c19-12-5-3-11(4-6-12)16-21-14(15(24)18(26)22-16)17(25)20-9-10-1-7-13(23)8-2-10/h1-8,23-24H,9H2,(H,20,25)(H,21,22,26)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023436
PNG
(CHEMBL3334643)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1ccccc1F
Show InChI InChI=1S/C18H13F2N3O3/c19-12-7-5-10(6-8-12)16-22-14(15(24)18(26)23-16)17(25)21-9-11-3-1-2-4-13(11)20/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023432
PNG
(CHEMBL385951)
Show SMILES Oc1nc(nc(C(=O)NCc2ccccc2)c1O)-c1ccccc1
Show InChI InChI=1S/C18H15N3O3/c22-15-14(17(23)19-11-12-7-3-1-4-8-12)20-16(21-18(15)24)13-9-5-2-6-10-13/h1-10,22H,11H2,(H,19,23)(H,20,21,24)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023433
PNG
(CHEMBL3334646)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C18H11F4N3O3/c19-10-3-1-9(2-4-10)16-24-14(15(26)18(28)25-16)17(27)23-7-8-5-11(20)13(22)12(21)6-8/h1-6,26H,7H2,(H,23,27)(H,24,25,28)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023424
PNG
(CHEMBL3334634)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-5-1-10(2-6-12)9-21-17(25)14-15(24)18(26)23-16(22-14)11-3-7-13(20)8-4-11/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023430
PNG
(CHEMBL3334648)
Show SMILES Oc1c(nc(Cc2ccc(F)cc2)[nH]c1=O)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C19H15F2N3O3/c20-13-5-1-11(2-6-13)9-15-23-16(17(25)19(27)24-15)18(26)22-10-12-3-7-14(21)8-4-12/h1-8,25H,9-10H2,(H,22,26)(H,23,24,27)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase strand transfer activity by gel-based assay

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023423
PNG
(CHEMBL3334635)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1ccc(Br)cc1
Show InChI InChI=1S/C18H13BrFN3O3/c19-12-5-1-10(2-6-12)9-21-17(25)14-15(24)18(26)23-16(22-14)11-3-7-13(20)8-4-11/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023425
PNG
(CHEMBL3334633)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C18H13F2N3O3/c19-12-5-1-10(2-6-12)9-21-17(25)14-15(24)18(26)23-16(22-14)11-3-7-13(20)8-4-11/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023435
PNG
(CHEMBL3334644)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C18H12ClF2N3O3/c19-12-3-1-2-10(13(12)21)8-22-17(26)14-15(25)18(27)24-16(23-14)9-4-6-11(20)7-5-9/h1-7,25H,8H2,(H,22,26)(H,23,24,27)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023433
PNG
(CHEMBL3334646)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1cc(F)c(F)c(F)c1
Show InChI InChI=1S/C18H11F4N3O3/c19-10-3-1-9(2-4-10)16-24-14(15(26)18(28)25-16)17(27)23-7-8-5-11(20)13(22)12(21)6-8/h1-6,26H,7H2,(H,23,27)(H,24,25,28)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023421
PNG
(CHEMBL3334637)
Show SMILES Cc1ccc(CNC(=O)c2nc([nH]c(=O)c2O)-c2ccc(F)cc2)cc1C
Show InChI InChI=1S/C20H18FN3O3/c1-11-3-4-13(9-12(11)2)10-22-19(26)16-17(25)20(27)24-18(23-16)14-5-7-15(21)8-6-14/h3-9,25H,10H2,1-2H3,(H,22,26)(H,23,24,27)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023428
PNG
(CHEMBL3334650)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccccc1F)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C18H13F2N3O3/c19-11-7-5-10(6-8-11)9-21-17(25)14-15(24)18(26)23-16(22-14)12-3-1-2-4-13(12)20/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023441
PNG
(CHEMBL3334638)
Show SMILES COc1ccc(CNC(=O)c2nc([nH]c(=O)c2O)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H16FN3O4/c1-27-14-8-2-11(3-9-14)10-21-18(25)15-16(24)19(26)23-17(22-15)12-4-6-13(20)7-5-12/h2-9,24H,10H2,1H3,(H,21,25)(H,22,23,26)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023431
PNG
(CHEMBL3334647)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccccc1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C18H14FN3O3/c19-13-8-6-11(7-9-13)10-20-17(24)14-15(23)18(25)22-16(21-14)12-4-2-1-3-5-12/h1-9,23H,10H2,(H,20,24)(H,21,22,25)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023440
PNG
(CHEMBL3334639)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCCc1ccc(F)cc1
Show InChI InChI=1S/C19H15F2N3O3/c20-13-5-1-11(2-6-13)9-10-22-18(26)15-16(25)19(27)24-17(23-15)12-3-7-14(21)8-4-12/h1-8,25H,9-10H2,(H,22,26)(H,23,24,27)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023422
PNG
(CHEMBL3334636)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1ccc(F)c(F)c1
Show InChI InChI=1S/C18H12F3N3O3/c19-11-4-2-10(3-5-11)16-23-14(15(25)18(27)24-16)17(26)22-8-9-1-6-12(20)13(21)7-9/h1-7,25H,8H2,(H,22,26)(H,23,24,27)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023439
PNG
(CHEMBL3334640)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C18H13ClFN3O3/c19-12-3-1-2-10(8-12)9-21-17(25)14-15(24)18(26)23-16(22-14)11-4-6-13(20)7-5-11/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023437
PNG
(CHEMBL3334642)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C18H13F2N3O3/c19-12-6-4-11(5-7-12)16-22-14(15(24)18(26)23-16)17(25)21-9-10-2-1-3-13(20)8-10/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023436
PNG
(CHEMBL3334643)
Show SMILES Oc1c(nc([nH]c1=O)-c1ccc(F)cc1)C(=O)NCc1ccccc1F
Show InChI InChI=1S/C18H13F2N3O3/c19-12-7-5-10(6-8-12)16-22-14(15(24)18(26)23-16)17(25)21-9-11-3-1-2-4-13(11)20/h1-8,24H,9H2,(H,21,25)(H,22,23,26)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023432
PNG
(CHEMBL385951)
Show SMILES Oc1nc(nc(C(=O)NCc2ccccc2)c1O)-c1ccccc1
Show InChI InChI=1S/C18H15N3O3/c22-15-14(17(23)19-11-12-7-3-1-4-8-12)20-16(21-18(15)24)13-9-5-2-6-10-13/h1-10,22H,11H2,(H,19,23)(H,20,21,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023438
PNG
(CHEMBL3334641)
Show SMILES Oc1ccc(CNC(=O)c2nc([nH]c(=O)c2O)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H14FN3O4/c19-12-5-3-11(4-6-12)16-21-14(15(24)18(26)22-16)17(25)20-9-10-1-7-13(23)8-2-10/h1-8,23-24H,9H2,(H,20,25)(H,21,22,26)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50023430
PNG
(CHEMBL3334648)
Show SMILES Oc1c(nc(Cc2ccc(F)cc2)[nH]c1=O)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C19H15F2N3O3/c20-13-5-1-11(2-6-13)9-15-23-16(17(25)19(27)24-15)18(26)22-10-12-3-7-14(21)8-4-12/h1-8,25H,9-10H2,(H,22,26)(H,23,24,27)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant wild type integrase 3'-processing activity by gel-based assays

Bioorg Med Chem 22: 5446-53 (2014)


Article DOI: 10.1016/j.bmc.2014.07.036
BindingDB Entry DOI: 10.7270/Q2WM1G02
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%