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Compile Data Set for Download or QSAR

Found 165 hits Enz. Inhib. hit(s) with all data for entry = 50004502   
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)
BDBM50476348
PNG
(GSK-S-1360 | GW-810781 | Gw810781 | S 1360 | S-136...)
Show SMILES O\C(=C/C(=O)c1ccc(Cc2ccc(F)cc2)o1)c1nc[nH]n1
Show InChI InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,8-9,22H,7H2,(H,18,19,20)/b14-8-
PDB

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n/an/a 600n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483511
PNG
(CHEMBL1682031)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2c(Cl)ccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C16H8BrCl3O4/c17-7-5-9(15(22)10(6-7)16(23)24)13(21)4-1-8-11(18)2-3-12(19)14(8)20/h1-6,22H,(H,23,24)/b4-1+
PDB

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n/an/a<3.70E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483511
PNG
(CHEMBL1682031)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2c(Cl)ccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C16H8BrCl3O4/c17-7-5-9(15(22)10(6-7)16(23)24)13(21)4-1-8-11(18)2-3-12(19)14(8)20/h1-6,22H,(H,23,24)/b4-1+
PDB

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n/an/a 3.98E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483517
PNG
(CHEMBL1685080)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccc(Br)cc2)c1O
Show InChI InChI=1S/C16H10Br2O4/c17-10-4-1-9(2-5-10)3-6-14(19)12-7-11(18)8-13(15(12)20)16(21)22/h1-8,20H,(H,21,22)/b6-3+
PDB

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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483517
PNG
(CHEMBL1685080)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccc(Br)cc2)c1O
Show InChI InChI=1S/C16H10Br2O4/c17-10-4-1-9(2-5-10)3-6-14(19)12-7-11(18)8-13(15(12)20)16(21)22/h1-8,20H,(H,21,22)/b6-3+
PDB

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n/an/a 5.01E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483518
PNG
(CHEMBL1685082)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccc(Cl)cc2Cl)c1O
Show InChI InChI=1S/C16H9BrCl2O4/c17-9-5-11(15(21)12(6-9)16(22)23)14(20)4-2-8-1-3-10(18)7-13(8)19/h1-7,21H,(H,22,23)/b4-2+
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483518
PNG
(CHEMBL1685082)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccc(Cl)cc2Cl)c1O
Show InChI InChI=1S/C16H9BrCl2O4/c17-9-5-11(15(21)12(6-9)16(22)23)14(20)4-2-8-1-3-10(18)7-13(8)19/h1-7,21H,(H,22,23)/b4-2+
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n/an/a 7.08E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483534
PNG
(CHEMBL1682066)
Show SMILES Oc1c(C=O)cc(Br)cc1C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C15H11BrFNO3/c16-11-5-10(8-19)14(20)13(6-11)15(21)18-7-9-1-3-12(17)4-2-9/h1-6,8,20H,7H2,(H,18,21)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483496
PNG
(CHEMBL1682048)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccccc2OCc2ccccc2)c1O
Show InChI InChI=1S/C23H17BrO5/c24-17-12-18(22(26)19(13-17)23(27)28)20(25)11-10-16-8-4-5-9-21(16)29-14-15-6-2-1-3-7-15/h1-13,26H,14H2,(H,27,28)/b11-10+
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483489
PNG
(CHEMBL1685078)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(Cl)c2)c1O
Show InChI InChI=1S/C16H10BrClO4/c17-10-7-12(15(20)13(8-10)16(21)22)14(19)5-4-9-2-1-3-11(18)6-9/h1-8,20H,(H,21,22)/b5-4+
PDB

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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483489
PNG
(CHEMBL1685078)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(Cl)c2)c1O
Show InChI InChI=1S/C16H10BrClO4/c17-10-7-12(15(20)13(8-10)16(21)22)14(19)5-4-9-2-1-3-11(18)6-9/h1-8,20H,(H,21,22)/b5-4+
PDB

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n/an/a 9.12E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483496
PNG
(CHEMBL1682048)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccccc2OCc2ccccc2)c1O
Show InChI InChI=1S/C23H17BrO5/c24-17-12-18(22(26)19(13-17)23(27)28)20(25)11-10-16-8-4-5-9-21(16)29-14-15-6-2-1-3-7-15/h1-13,26H,14H2,(H,27,28)/b11-10+
PDB

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n/an/a 9.12E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483524
PNG
(CHEMBL1682055)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccc3sccc3c2)c1O
Show InChI InChI=1S/C18H11BrO4S/c19-12-8-13(17(21)14(9-12)18(22)23)15(20)3-1-10-2-4-16-11(7-10)5-6-24-16/h1-9,21H,(H,22,23)/b3-1+
PDB

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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50476348
PNG
(GSK-S-1360 | GW-810781 | Gw810781 | S 1360 | S-136...)
Show SMILES O\C(=C/C(=O)c1ccc(Cc2ccc(F)cc2)o1)c1nc[nH]n1
Show InChI InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,8-9,22H,7H2,(H,18,19,20)/b14-8-
PDB

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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated 3'-processing after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483517
PNG
(CHEMBL1685080)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccc(Br)cc2)c1O
Show InChI InChI=1S/C16H10Br2O4/c17-10-4-1-9(2-5-10)3-6-14(19)12-7-11(18)8-13(15(12)20)16(21)22/h1-8,20H,(H,21,22)/b6-3+
PDB

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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated 3'-processing after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483524
PNG
(CHEMBL1682055)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccc3sccc3c2)c1O
Show InChI InChI=1S/C18H11BrO4S/c19-12-8-13(17(21)14(9-12)18(22)23)15(20)3-1-10-2-4-16-11(7-10)5-6-24-16/h1-9,21H,(H,22,23)/b3-1+
PDB

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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483488
PNG
(CHEMBL1685079)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccc(Cl)cc2)c1O
Show InChI InChI=1S/C16H10BrClO4/c17-10-7-12(15(20)13(8-10)16(21)22)14(19)6-3-9-1-4-11(18)5-2-9/h1-8,20H,(H,21,22)/b6-3+
PDB

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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483488
PNG
(CHEMBL1685079)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccc(Cl)cc2)c1O
Show InChI InChI=1S/C16H10BrClO4/c17-10-7-12(15(20)13(8-10)16(21)22)14(19)6-3-9-1-4-11(18)5-2-9/h1-8,20H,(H,21,22)/b6-3+
PDB

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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483512
PNG
(CHEMBL1682030)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cc(Cl)cc(Cl)c2Cl)c1O
Show InChI InChI=1S/C16H8BrCl3O4/c17-8-4-10(15(22)11(5-8)16(23)24)13(21)2-1-7-3-9(18)6-12(19)14(7)20/h1-6,22H,(H,23,24)/b2-1+
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483512
PNG
(CHEMBL1682030)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cc(Cl)cc(Cl)c2Cl)c1O
Show InChI InChI=1S/C16H8BrCl3O4/c17-8-4-10(15(22)11(5-8)16(23)24)13(21)2-1-7-3-9(18)6-12(19)14(7)20/h1-6,22H,(H,23,24)/b2-1+
PDB

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n/an/a 1.32E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483510
PNG
(CHEMBL1685076)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccccc2Cl)c1O
Show InChI InChI=1S/C16H10BrClO4/c17-10-7-11(15(20)12(8-10)16(21)22)14(19)6-5-9-3-1-2-4-13(9)18/h1-8,20H,(H,21,22)/b6-5+
PDB

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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483528
PNG
(CHEMBL1682029)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccc(Cl)c(Cl)c2)c1O
Show InChI InChI=1S/C16H9BrCl2O4/c17-9-6-10(15(21)11(7-9)16(22)23)14(20)4-2-8-1-3-12(18)13(19)5-8/h1-7,21H,(H,22,23)/b4-2+
PDB

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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483510
PNG
(CHEMBL1685076)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccccc2Cl)c1O
Show InChI InChI=1S/C16H10BrClO4/c17-10-7-11(15(20)12(8-10)16(21)22)14(19)6-5-9-3-1-2-4-13(9)18/h1-8,20H,(H,21,22)/b6-5+
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n/an/a 1.41E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483528
PNG
(CHEMBL1682029)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccc(Cl)c(Cl)c2)c1O
Show InChI InChI=1S/C16H9BrCl2O4/c17-9-6-10(15(21)11(7-9)16(22)23)14(20)4-2-8-1-3-12(18)13(19)5-8/h1-7,21H,(H,22,23)/b4-2+
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483532
PNG
(CHEMBL1682068)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)NCc2ccc(F)cc2)c1O
Show InChI InChI=1S/C15H11BrFNO4/c16-9-5-11(13(19)12(6-9)15(21)22)14(20)18-7-8-1-3-10(17)4-2-8/h1-6,19H,7H2,(H,18,20)(H,21,22)
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483536
PNG
(CHEMBL1682043)
Show SMILES OC(=O)c1cc(F)cc(C(=O)\C=C\c2cc(Cl)cc(Cl)c2Cl)c1O
Show InChI InChI=1S/C16H8Cl3FO4/c17-8-3-7(14(19)12(18)4-8)1-2-13(21)10-5-9(20)6-11(15(10)22)16(23)24/h1-6,22H,(H,23,24)/b2-1+
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483536
PNG
(CHEMBL1682043)
Show SMILES OC(=O)c1cc(F)cc(C(=O)\C=C\c2cc(Cl)cc(Cl)c2Cl)c1O
Show InChI InChI=1S/C16H8Cl3FO4/c17-8-3-7(14(19)12(18)4-8)1-2-13(21)10-5-9(20)6-11(15(10)22)16(23)24/h1-6,22H,(H,23,24)/b2-1+
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n/an/a 1.51E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483532
PNG
(CHEMBL1682068)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)NCc2ccc(F)cc2)c1O
Show InChI InChI=1S/C15H11BrFNO4/c16-9-5-11(13(19)12(6-9)15(21)22)14(20)18-7-8-1-3-10(17)4-2-8/h1-6,19H,7H2,(H,18,20)(H,21,22)
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483521
PNG
(CHEMBL1682056)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccccc2-c2ccco2)c1O
Show InChI InChI=1S/C20H13BrO5/c21-13-10-15(19(23)16(11-13)20(24)25)17(22)8-7-12-4-1-2-5-14(12)18-6-3-9-26-18/h1-11,23H,(H,24,25)/b8-7+
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n/an/a 1.58E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483525
PNG
(CHEMBL1682050)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccc(Oc3ccc(Cl)cc3)cc2)c1O
Show InChI InChI=1S/C22H14BrClO5/c23-14-11-18(21(26)19(12-14)22(27)28)20(25)10-3-13-1-6-16(7-2-13)29-17-8-4-15(24)5-9-17/h1-12,26H,(H,27,28)/b10-3+
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483521
PNG
(CHEMBL1682056)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccccc2-c2ccco2)c1O
Show InChI InChI=1S/C20H13BrO5/c21-13-10-15(19(23)16(11-13)20(24)25)17(22)8-7-12-4-1-2-5-14(12)18-6-3-9-26-18/h1-11,23H,(H,24,25)/b8-7+
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483484
PNG
(CHEMBL1682028)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2c(Cl)cccc2Cl)c1O
Show InChI InChI=1S/C16H9BrCl2O4/c17-8-6-10(15(21)11(7-8)16(22)23)14(20)5-4-9-12(18)2-1-3-13(9)19/h1-7,21H,(H,22,23)/b5-4+
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483484
PNG
(CHEMBL1682028)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2c(Cl)cccc2Cl)c1O
Show InChI InChI=1S/C16H9BrCl2O4/c17-8-6-10(15(21)11(7-8)16(22)23)14(20)5-4-9-12(18)2-1-3-13(9)19/h1-7,21H,(H,22,23)/b5-4+
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n/an/a 1.62E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483525
PNG
(CHEMBL1682050)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccc(Oc3ccc(Cl)cc3)cc2)c1O
Show InChI InChI=1S/C22H14BrClO5/c23-14-11-18(21(26)19(12-14)22(27)28)20(25)10-3-13-1-6-16(7-2-13)29-17-8-4-15(24)5-9-17/h1-12,26H,(H,27,28)/b10-3+
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483500
PNG
(CHEMBL1682036)
Show SMILES OC(=O)c1cc(Cl)cc(C(=O)\C=C\c2cc(Cl)cc(Cl)c2Cl)c1O
Show InChI InChI=1S/C16H8Cl4O4/c17-8-3-7(14(20)12(19)6-8)1-2-13(21)10-4-9(18)5-11(15(10)22)16(23)24/h1-6,22H,(H,23,24)/b2-1+
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483507
PNG
(CHEMBL1682039)
Show SMILES OC(=O)c1cc(F)cc(C(=O)\C=C\c2ccc(Cl)cc2)c1O
Show InChI InChI=1S/C16H10ClFO4/c17-10-4-1-9(2-5-10)3-6-14(19)12-7-11(18)8-13(15(12)20)16(21)22/h1-8,20H,(H,21,22)/b6-3+
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483500
PNG
(CHEMBL1682036)
Show SMILES OC(=O)c1cc(Cl)cc(C(=O)\C=C\c2cc(Cl)cc(Cl)c2Cl)c1O
Show InChI InChI=1S/C16H8Cl4O4/c17-8-3-7(14(20)12(19)6-8)1-2-13(21)10-4-9(18)5-11(15(10)22)16(23)24/h1-6,22H,(H,23,24)/b2-1+
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483507
PNG
(CHEMBL1682039)
Show SMILES OC(=O)c1cc(F)cc(C(=O)\C=C\c2ccc(Cl)cc2)c1O
Show InChI InChI=1S/C16H10ClFO4/c17-10-4-1-9(2-5-10)3-6-14(19)12-7-11(18)8-13(15(12)20)16(21)22/h1-8,20H,(H,21,22)/b6-3+
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n/an/a 1.74E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483485
PNG
(CHEMBL1682027)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cc(Cl)ccc2Cl)c1O
Show InChI InChI=1S/C16H9BrCl2O4/c17-9-6-11(15(21)12(7-9)16(22)23)14(20)4-1-8-5-10(18)2-3-13(8)19/h1-7,21H,(H,22,23)/b4-1+
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483495
PNG
(CHEMBL1682049)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(Oc3ccc(Cl)cc3)c2)c1O
Show InChI InChI=1S/C22H14BrClO5/c23-14-11-18(21(26)19(12-14)22(27)28)20(25)9-4-13-2-1-3-17(10-13)29-16-7-5-15(24)6-8-16/h1-12,26H,(H,27,28)/b9-4+
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483516
PNG
(CHEMBL1682060)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(Br)c2)c1O
Show InChI InChI=1S/C16H10Br2O4/c17-10-3-1-2-9(6-10)4-5-14(19)12-7-11(18)8-13(15(12)20)16(21)22/h1-8,20H,(H,21,22)/b5-4+
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483522
PNG
(CHEMBL1682051)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccsc2)c1O
Show InChI InChI=1S/C14H9BrO4S/c15-9-5-10(13(17)11(6-9)14(18)19)12(16)2-1-8-3-4-20-7-8/h1-7,17H,(H,18,19)/b2-1+
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483516
PNG
(CHEMBL1682060)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(Br)c2)c1O
Show InChI InChI=1S/C16H10Br2O4/c17-10-3-1-2-9(6-10)4-5-14(19)12-7-11(18)8-13(15(12)20)16(21)22/h1-8,20H,(H,21,22)/b5-4+
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n/an/a 1.82E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483485
PNG
(CHEMBL1682027)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cc(Cl)ccc2Cl)c1O
Show InChI InChI=1S/C16H9BrCl2O4/c17-9-6-11(15(21)12(7-9)16(22)23)14(20)4-1-8-5-10(18)2-3-13(8)19/h1-7,21H,(H,22,23)/b4-1+
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483495
PNG
(CHEMBL1682049)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(Oc3ccc(Cl)cc3)c2)c1O
Show InChI InChI=1S/C22H14BrClO5/c23-14-11-18(21(26)19(12-14)22(27)28)20(25)9-4-13-2-1-3-17(10-13)29-16-7-5-15(24)6-8-16/h1-12,26H,(H,27,28)/b9-4+
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University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483522
PNG
(CHEMBL1682051)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2ccsc2)c1O
Show InChI InChI=1S/C14H9BrO4S/c15-9-5-10(13(17)11(6-9)14(18)19)12(16)2-1-8-3-4-20-7-8/h1-7,17H,(H,18,19)/b2-1+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.82E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483509
PNG
(CHEMBL1685083)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C16H9BrCl2O4/c17-9-6-10(15(21)11(7-9)16(22)23)13(20)5-4-8-2-1-3-12(18)14(8)19/h1-7,21H,(H,22,23)/b5-4+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483516
PNG
(CHEMBL1682060)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(Br)c2)c1O
Show InChI InChI=1S/C16H10Br2O4/c17-10-3-1-2-9(6-10)4-5-14(19)12-7-11(18)8-13(15(12)20)16(21)22/h1-8,20H,(H,21,22)/b5-4+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated 3'-processing after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483509
PNG
(CHEMBL1685083)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(Cl)c2Cl)c1O
Show InChI InChI=1S/C16H9BrCl2O4/c17-9-6-10(15(21)11(7-9)16(22)23)13(20)5-4-8-2-1-3-12(18)14(8)19/h1-7,21H,(H,22,23)/b5-4+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.91E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483512
PNG
(CHEMBL1682030)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cc(Cl)cc(Cl)c2Cl)c1O
Show InChI InChI=1S/C16H8BrCl3O4/c17-8-4-10(15(22)11(5-8)16(23)24)13(21)2-1-7-3-9(18)6-12(19)14(7)20/h1-6,22H,(H,23,24)/b2-1+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated 3'-processing after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
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