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PubMed code 26451771

Compile data set for download or QSAR
Found 41 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)		BDBM25351
PNG
(N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...)
Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C
Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)
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n/an/a 13n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498961
PNG
(CHEMBL3736106)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)nc1Cc1ccccc1
Show InChI InChI=1S/C26H24N2O7/c1-3-35-25(33)23-16(2)28(26(34)27-20(23)13-17-7-5-4-6-8-17)15-18-9-11-19(12-10-18)21(29)14-22(30)24(31)32/h4-12,14,30H,3,13,15H2,1-2H3,(H,31,32)/b22-14-
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Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498960
PNG
(CHEMBL3736051)
Show SMILES CCOC(=O)c1c(CC)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)nc1-c1ccccc1
Show InChI InChI=1S/C26H24N2O7/c1-3-19-22(25(33)35-4-2)23(18-8-6-5-7-9-18)27-26(34)28(19)15-16-10-12-17(13-11-16)20(29)14-21(30)24(31)32/h5-14,30H,3-4,15H2,1-2H3,(H,31,32)/b21-14-
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Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498964
PNG
(CHEMBL3735829)
Show SMILES CCOC(=O)c1c(CC)n(Cc2ccc(Cc3cccc(c3)C(=O)\C=C(/O)C(O)=O)cc2)c(=O)nc1-c1ccccc1
Show InChI InChI=1S/C33H30N2O7/c1-3-26-29(32(40)42-4-2)30(24-10-6-5-7-11-24)34-33(41)35(26)20-22-15-13-21(14-16-22)17-23-9-8-12-25(18-23)27(36)19-28(37)31(38)39/h5-16,18-19,37H,3-4,17,20H2,1-2H3,(H,38,39)/b28-19-
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n/an/a 850n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498952
PNG
(CHEMBL3735630)
Show SMILES CCOC(=O)c1c(CC)nc(SCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C26H23FN2O6S/c1-3-19-22(25(34)35-4-2)23(17-9-11-18(27)12-10-17)29-26(28-19)36-14-15-5-7-16(8-6-15)20(30)13-21(31)24(32)33/h5-13,31H,3-4,14H2,1-2H3,(H,32,33)/b21-13-
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n/an/a 920n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498971
PNG
(CHEMBL3735944)
Show SMILES CCOC(=O)c1c(CC)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C26H23FN2O7/c1-3-19-22(25(34)36-4-2)23(17-9-11-18(27)12-10-17)28-26(35)29(19)14-15-5-7-16(8-6-15)20(30)13-21(31)24(32)33/h5-13,31H,3-4,14H2,1-2H3,(H,32,33)/b21-13-
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n/an/a 1.10E+3n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498955
PNG
(CHEMBL3735286)
Show SMILES CCOC(=O)c1c(nc(SCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)nc1-c1ccc(OC)cc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O7S/c1-3-40-30(38)26-27(21-7-5-4-6-8-21)32-31(33-28(26)22-13-15-23(39-2)16-14-22)41-18-19-9-11-20(12-10-19)24(34)17-25(35)29(36)37/h4-17,35H,3,18H2,1-2H3,(H,36,37)/b25-17-
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n/an/a 1.20E+3n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498962
PNG
(CHEMBL3735397)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C25H21FN2O7/c1-3-35-24(33)21-14(2)28(25(34)27-22(21)17-8-10-18(26)11-9-17)13-15-4-6-16(7-5-15)19(29)12-20(30)23(31)32/h4-12,30H,3,13H2,1-2H3,(H,31,32)/b20-12-
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n/an/a 1.30E+3n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498968
PNG
(CHEMBL3736042)
Show SMILES CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1-c1ccccc1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C32H28N2O7/c1-4-41-31(39)27-28(24-15-19(2)14-20(3)16-24)33-32(40)34(29(27)23-8-6-5-7-9-23)18-21-10-12-22(13-11-21)25(35)17-26(36)30(37)38/h5-17,36H,4,18H2,1-3H3,(H,37,38)/b26-17-
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n/an/a 1.30E+3n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498956
PNG
(CHEMBL3736096)
Show SMILES CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1-c1ccccc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C31H26N2O8/c1-3-41-30(38)26-27(21-13-15-23(40-2)16-14-21)32-31(39)33(28(26)22-7-5-4-6-8-22)18-19-9-11-20(12-10-19)24(34)17-25(35)29(36)37/h4-17,35H,3,18H2,1-2H3,(H,36,37)/b25-17-
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n/an/a 1.90E+3n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498957
PNG
(CHEMBL3735322)
Show SMILES CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H24N2O7/c1-2-39-29(37)25-26(21-9-5-3-6-10-21)31-30(38)32(27(25)22-11-7-4-8-12-22)18-19-13-15-20(16-14-19)23(33)17-24(34)28(35)36/h3-17,34H,2,18H2,1H3,(H,35,36)/b24-17-
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n/an/a 2.00E+3n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498963
PNG
(CHEMBL3735665)
Show SMILES CCOC(=O)c1c(CC)nc(SCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)nc1-c1ccccc1
Show InChI InChI=1S/C26H24N2O6S/c1-3-19-22(25(33)34-4-2)23(18-8-6-5-7-9-18)28-26(27-19)35-15-16-10-12-17(13-11-16)20(29)14-21(30)24(31)32/h5-14,30H,3-4,15H2,1-2H3,(H,31,32)/b21-14-
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n/an/a 2.23E+3n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498953
PNG
(CHEMBL3735583)
Show SMILES CCOC(=O)c1c(CC)nc(SCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)nc1-c1ccc(OC)cc1
Show InChI InChI=1S/C27H26N2O7S/c1-4-20-23(26(34)36-5-2)24(18-10-12-19(35-3)13-11-18)29-27(28-20)37-15-16-6-8-17(9-7-16)21(30)14-22(31)25(32)33/h6-14,31H,4-5,15H2,1-3H3,(H,32,33)/b22-14-
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n/an/a 2.27E+3n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498959
PNG
(CHEMBL3735455)
Show SMILES CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1C(C)C)-c1ccccc1
Show InChI InChI=1S/C27H26N2O7/c1-4-36-26(34)22-23(19-8-6-5-7-9-19)28-27(35)29(24(22)16(2)3)15-17-10-12-18(13-11-17)20(30)14-21(31)25(32)33/h5-14,16,31H,4,15H2,1-3H3,(H,32,33)/b21-14-
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n/an/a 2.30E+3n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498967
PNG
(CHEMBL3734837)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)nc1-c1ccccc1
Show InChI InChI=1S/C25H22N2O7/c1-3-34-24(32)21-15(2)27(25(33)26-22(21)18-7-5-4-6-8-18)14-16-9-11-17(12-10-16)19(28)13-20(29)23(30)31/h4-13,29H,3,14H2,1-2H3,(H,30,31)/b20-13-
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n/an/a 2.40E+3n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498965
PNG
(CHEMBL3734908)
Show SMILES CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H23FN2O7/c1-2-40-29(38)25-26(20-12-14-22(31)15-13-20)32-30(39)33(27(25)21-6-4-3-5-7-21)17-18-8-10-19(11-9-18)23(34)16-24(35)28(36)37/h3-16,35H,2,17H2,1H3,(H,36,37)/b24-16-
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n/an/a 2.40E+3n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498954
PNG
(CHEMBL3735239)
Show SMILES CCOC(=O)c1c(nc(SCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)nc1-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C30H23FN2O6S/c1-2-39-29(38)25-26(20-6-4-3-5-7-20)32-30(33-27(25)21-12-14-22(31)15-13-21)40-17-18-8-10-19(11-9-18)23(34)16-24(35)28(36)37/h3-16,35H,2,17H2,1H3,(H,36,37)/b24-16-
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n/an/a 2.80E+3n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498966
PNG
(CHEMBL3736464)
Show SMILES CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1C(C)C)-c1ccc(OC)cc1
Show InChI InChI=1S/C28H28N2O8/c1-5-38-27(35)23-24(19-10-12-20(37-4)13-11-19)29-28(36)30(25(23)16(2)3)15-17-6-8-18(9-7-17)21(31)14-22(32)26(33)34/h6-14,16,32H,5,15H2,1-4H3,(H,33,34)/b22-14-
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n/an/a 3.30E+3n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498958
PNG
(CHEMBL3735086)
Show SMILES CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1C(C)C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25FN2O7/c1-4-37-26(35)22-23(18-9-11-19(28)12-10-18)29-27(36)30(24(22)15(2)3)14-16-5-7-17(8-6-16)20(31)13-21(32)25(33)34/h5-13,15,32H,4,14H2,1-3H3,(H,33,34)/b21-13-
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n/an/a 3.60E+3n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498969
PNG
(CHEMBL3735646)
Show SMILES CCOC(=O)c1c(CC)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)nc1-c1ccc(OC)cc1
Show InChI InChI=1S/C27H26N2O8/c1-4-20-23(26(34)37-5-2)24(18-10-12-19(36-3)13-11-18)28-27(35)29(20)15-16-6-8-17(9-7-16)21(30)14-22(31)25(32)33/h6-14,31H,4-5,15H2,1-3H3,(H,32,33)/b22-14-
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n/an/a 5.60E+3n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498970
PNG
(CHEMBL3735570)
Show SMILES CCOC(=O)c1c(nc(SCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H24N2O6S/c1-2-38-29(37)25-26(21-9-5-3-6-10-21)31-30(32-27(25)22-11-7-4-8-12-22)39-18-19-13-15-20(16-14-19)23(33)17-24(34)28(35)36/h3-17,34H,2,18H2,1H3,(H,35,36)/b24-17-
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n/an/a 6.10E+3n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase stand transfer activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498968
PNG
(CHEMBL3736042)
Show SMILES CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1-c1ccccc1)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C32H28N2O7/c1-4-41-31(39)27-28(24-15-19(2)14-20(3)16-24)33-32(40)34(29(27)23-8-6-5-7-9-23)18-21-10-12-22(13-11-21)25(35)17-26(36)30(37)38/h5-17,36H,4,18H2,1-3H3,(H,37,38)/b26-17-
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n/an/a 1.63E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498965
PNG
(CHEMBL3734908)
Show SMILES CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H23FN2O7/c1-2-40-29(38)25-26(20-12-14-22(31)15-13-20)32-30(39)33(27(25)21-6-4-3-5-7-21)17-18-8-10-19(11-9-18)23(34)16-24(35)28(36)37/h3-16,35H,2,17H2,1H3,(H,36,37)/b24-16-
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n/an/a 1.66E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498961
PNG
(CHEMBL3736106)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)nc1Cc1ccccc1
Show InChI InChI=1S/C26H24N2O7/c1-3-35-25(33)23-16(2)28(26(34)27-20(23)13-17-7-5-4-6-8-17)15-18-9-11-19(12-10-18)21(29)14-22(30)24(31)32/h4-12,14,30H,3,13,15H2,1-2H3,(H,31,32)/b22-14-
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n/an/a 1.69E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498956
PNG
(CHEMBL3736096)
Show SMILES CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1-c1ccccc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C31H26N2O8/c1-3-41-30(38)26-27(21-13-15-23(40-2)16-14-21)32-31(39)33(28(26)22-7-5-4-6-8-22)18-19-9-11-20(12-10-19)24(34)17-25(35)29(36)37/h4-17,35H,3,18H2,1-2H3,(H,36,37)/b25-17-
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n/an/a 1.72E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498962
PNG
(CHEMBL3735397)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C25H21FN2O7/c1-3-35-24(33)21-14(2)28(25(34)27-22(21)17-8-10-18(26)11-9-17)13-15-4-6-16(7-5-15)19(29)12-20(30)23(31)32/h4-12,30H,3,13H2,1-2H3,(H,31,32)/b20-12-
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n/an/a 1.74E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498957
PNG
(CHEMBL3735322)
Show SMILES CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H24N2O7/c1-2-39-29(37)25-26(21-9-5-3-6-10-21)31-30(38)32(27(25)22-11-7-4-8-12-22)18-19-13-15-20(16-14-19)23(33)17-24(34)28(35)36/h3-17,34H,2,18H2,1H3,(H,35,36)/b24-17-
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n/an/a 1.84E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498960
PNG
(CHEMBL3736051)
Show SMILES CCOC(=O)c1c(CC)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)nc1-c1ccccc1
Show InChI InChI=1S/C26H24N2O7/c1-3-19-22(25(33)35-4-2)23(18-8-6-5-7-9-18)27-26(34)28(19)15-16-10-12-17(13-11-16)20(29)14-21(30)24(31)32/h5-14,30H,3-4,15H2,1-2H3,(H,31,32)/b21-14-
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n/an/a 1.91E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498966
PNG
(CHEMBL3736464)
Show SMILES CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1C(C)C)-c1ccc(OC)cc1
Show InChI InChI=1S/C28H28N2O8/c1-5-38-27(35)23-24(19-10-12-20(37-4)13-11-19)29-28(36)30(25(23)16(2)3)15-17-6-8-18(9-7-17)21(31)14-22(32)26(33)34/h6-14,16,32H,5,15H2,1-4H3,(H,33,34)/b22-14-
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n/an/a 1.92E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498963
PNG
(CHEMBL3735665)
Show SMILES CCOC(=O)c1c(CC)nc(SCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)nc1-c1ccccc1
Show InChI InChI=1S/C26H24N2O6S/c1-3-19-22(25(33)34-4-2)23(18-8-6-5-7-9-18)28-26(27-19)35-15-16-10-12-17(13-11-16)20(29)14-21(30)24(31)32/h5-14,30H,3-4,15H2,1-2H3,(H,31,32)/b21-14-
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n/an/a 2.11E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498954
PNG
(CHEMBL3735239)
Show SMILES CCOC(=O)c1c(nc(SCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)nc1-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C30H23FN2O6S/c1-2-39-29(38)25-26(20-6-4-3-5-7-20)32-30(33-27(25)21-12-14-22(31)15-13-21)40-17-18-8-10-19(11-9-18)23(34)16-24(35)28(36)37/h3-16,35H,2,17H2,1H3,(H,36,37)/b24-16-
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n/an/a 2.20E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498964
PNG
(CHEMBL3735829)
Show SMILES CCOC(=O)c1c(CC)n(Cc2ccc(Cc3cccc(c3)C(=O)\C=C(/O)C(O)=O)cc2)c(=O)nc1-c1ccccc1
Show InChI InChI=1S/C33H30N2O7/c1-3-26-29(32(40)42-4-2)30(24-10-6-5-7-11-24)34-33(41)35(26)20-22-15-13-21(14-16-22)17-23-9-8-12-25(18-23)27(36)19-28(37)31(38)39/h5-16,18-19,37H,3-4,17,20H2,1-2H3,(H,38,39)/b28-19-
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n/an/a 2.25E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498955
PNG
(CHEMBL3735286)
Show SMILES CCOC(=O)c1c(nc(SCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)nc1-c1ccc(OC)cc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O7S/c1-3-40-30(38)26-27(21-7-5-4-6-8-21)32-31(33-28(26)22-13-15-23(39-2)16-14-22)41-18-19-9-11-20(12-10-19)24(34)17-25(35)29(36)37/h4-17,35H,3,18H2,1-2H3,(H,36,37)/b25-17-
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n/an/a 2.30E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498952
PNG
(CHEMBL3735630)
Show SMILES CCOC(=O)c1c(CC)nc(SCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C26H23FN2O6S/c1-3-19-22(25(34)35-4-2)23(17-9-11-18(27)12-10-17)29-26(28-19)36-14-15-5-7-16(8-6-15)20(30)13-21(31)24(32)33/h5-13,31H,3-4,14H2,1-2H3,(H,32,33)/b21-13-
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n/an/a 2.93E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498970
PNG
(CHEMBL3735570)
Show SMILES CCOC(=O)c1c(nc(SCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H24N2O6S/c1-2-38-29(37)25-26(21-9-5-3-6-10-21)31-30(32-27(25)22-11-7-4-8-12-22)39-18-19-13-15-20(16-14-19)23(33)17-24(34)28(35)36/h3-17,34H,2,18H2,1H3,(H,35,36)/b24-17-
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n/an/a 3.00E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498953
PNG
(CHEMBL3735583)
Show SMILES CCOC(=O)c1c(CC)nc(SCc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)nc1-c1ccc(OC)cc1
Show InChI InChI=1S/C27H26N2O7S/c1-4-20-23(26(34)36-5-2)24(18-10-12-19(35-3)13-11-18)29-27(28-20)37-15-16-6-8-17(9-7-16)21(30)14-22(31)25(32)33/h6-14,31H,4-5,15H2,1-3H3,(H,32,33)/b22-14-
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n/an/a 3.07E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498971
PNG
(CHEMBL3735944)
Show SMILES CCOC(=O)c1c(CC)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C26H23FN2O7/c1-3-19-22(25(34)36-4-2)23(17-9-11-18(27)12-10-17)28-26(35)29(19)14-15-5-7-16(8-6-15)20(30)13-21(31)24(32)33/h5-13,31H,3-4,14H2,1-2H3,(H,32,33)/b21-13-
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n/an/a 3.50E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498959
PNG
(CHEMBL3735455)
Show SMILES CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1C(C)C)-c1ccccc1
Show InChI InChI=1S/C27H26N2O7/c1-4-36-26(34)22-23(19-8-6-5-7-9-19)28-27(35)29(24(22)16(2)3)15-17-10-12-18(13-11-17)20(30)14-21(31)25(32)33/h5-14,16,31H,4,15H2,1-3H3,(H,32,33)/b21-14-
PDB

UniProtKB/TrEMBL

B.MOAD
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.75E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498958
PNG
(CHEMBL3735086)
Show SMILES CCOC(=O)c1c(nc(=O)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c1C(C)C)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25FN2O7/c1-4-37-26(35)22-23(18-9-11-19(28)12-10-18)29-27(36)30(24(22)15(2)3)14-16-5-7-17(8-6-16)20(31)13-21(32)25(33)34/h5-13,15,32H,4,14H2,1-3H3,(H,33,34)/b21-13-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498969
PNG
(CHEMBL3735646)
Show SMILES CCOC(=O)c1c(CC)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)nc1-c1ccc(OC)cc1
Show InChI InChI=1S/C27H26N2O8/c1-4-20-23(26(34)37-5-2)24(18-10-12-19(36-3)13-11-18)28-27(35)29(20)15-16-6-8-17(9-7-16)21(30)14-22(31)25(32)33/h6-14,31H,4-5,15H2,1-3H3,(H,32,33)/b22-14-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.20E+4n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498967
PNG
(CHEMBL3734837)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccc(cc2)C(=O)\C=C(/O)C(O)=O)c(=O)nc1-c1ccccc1
Show InChI InChI=1S/C25H22N2O7/c1-3-34-24(32)21-15(2)27(25(33)26-22(21)18-7-5-4-6-8-18)14-16-9-11-17(12-10-16)19(28)13-20(29)23(30)31/h4-13,29H,3,14H2,1-2H3,(H,30,31)/b20-13-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.11E+5n/an/an/an/an/an/a



Univ. Orl£ans et CNRS

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 integrase 3'-processing activity expressed in Escherichia coli BL21(DE3) cells using 32P-labeled DNA substrate after ...

Eur J Med Chem 104: 127-38 (2015)


Article DOI: 10.1016/j.ejmech.2015.09.015
BindingDB Entry DOI: 10.7270/Q2CR5XB5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%