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Compile Data Set for Download or QSAR

Found 639 hits with Last Name = 'mazumder' and Initial = 'a'   
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
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM50178769
PNG
((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...)
Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)
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n/an/a 100n/an/an/an/an/an/a



Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...

J Med Chem 60: 4714-4733 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00533
BindingDB Entry DOI: 10.7270/Q23X894D
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM23408
PNG
(2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H
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n/an/a 100n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 integrase by strand transfer method

J Med Chem 40: 920-9 (1997)


Article DOI: 10.1021/jm960596u
BindingDB Entry DOI: 10.7270/Q2S75H1Q
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50057341
PNG
(2N-[3-(5,6-Dihydroxy-2-naphthyl carboxamido)propyl...)
Show SMILES Oc1ccc2cc(ccc2c1O)C(=O)NCCCNC(=O)c1ccc2c(O)c(O)ccc2c1
Show InChI InChI=1S/C25H22N2O6/c28-20-8-4-14-12-16(2-6-18(14)22(20)30)24(32)26-10-1-11-27-25(33)17-3-7-19-15(13-17)5-9-21(29)23(19)31/h2-9,12-13,28-31H,1,10-11H2,(H,26,32)(H,27,33)
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n/an/a 110n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase-mediated strand transfer

J Med Chem 40: 1186-94 (1997)


Article DOI: 10.1021/jm960449w
BindingDB Entry DOI: 10.7270/Q2M044H3
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50057341
PNG
(2N-[3-(5,6-Dihydroxy-2-naphthyl carboxamido)propyl...)
Show SMILES Oc1ccc2cc(ccc2c1O)C(=O)NCCCNC(=O)c1ccc2c(O)c(O)ccc2c1
Show InChI InChI=1S/C25H22N2O6/c28-20-8-4-14-12-16(2-6-18(14)22(20)30)24(32)26-10-1-11-27-25(33)17-3-7-19-15(13-17)5-9-21(29)23(19)31/h2-9,12-13,28-31H,1,10-11H2,(H,26,32)(H,27,33)
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n/an/a 230n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase-mediated 3'-processing

J Med Chem 40: 1186-94 (1997)


Article DOI: 10.1021/jm960449w
BindingDB Entry DOI: 10.7270/Q2M044H3
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50000036
PNG
(4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ...)
Show SMILES CC(=O)Nc1cc(cc2cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C12H11NO8S2/c1-6(14)13-10-4-8(22(16,17)18)2-7-3-9(23(19,20)21)5-11(15)12(7)10/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21)
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n/an/a 290n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 integrase by strand transfer method

J Med Chem 40: 920-9 (1997)


Article DOI: 10.1021/jm960596u
BindingDB Entry DOI: 10.7270/Q2S75H1Q
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM499
PNG
(6-hexyl-3-[(6-hexyl-4,7-dihydroxy-2-oxo-3,4-dihydr...)
Show SMILES CCCCCCc1cc2C(O)C(C(c3ccccc3)c3c(O)c4cc(CCCCCC)c(O)cc4oc3=O)C(=O)Oc2cc1O
Show InChI InChI=1S/C37H42O8/c1-3-5-7-10-16-23-18-25-29(20-27(23)38)44-36(42)32(34(25)40)31(22-14-12-9-13-15-22)33-35(41)26-19-24(17-11-8-6-4-2)28(39)21-30(26)45-37(33)43/h9,12-15,18-21,31-32,34,38-41H,3-8,10-11,16-17H2,1-2H3
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n/an/a 320n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 protease

J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50055711
PNG
(3-[4-di(4,7-dihydroxy-2-oxo-2H-3-chromenyl)methylp...)
Show SMILES Oc1ccc2c(O)c(C(c3ccc(cc3)C(c3c(O)c4ccc(O)cc4oc3=O)c3c(O)c4ccc(O)cc4oc3=O)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1
Show InChI InChI=1S/C44H26O16/c45-19-5-9-23-27(13-19)57-41(53)33(37(23)49)31(34-38(50)24-10-6-20(46)14-28(24)58-42(34)54)17-1-2-18(4-3-17)32(35-39(51)25-11-7-21(47)15-29(25)59-43(35)55)36-40(52)26-12-8-22(48)16-30(26)60-44(36)56/h1-16,31-32,45-52H
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n/an/a 330n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Integration of DNA by HIV -1 integrase

J Med Chem 40: 242-9 (1997)


Article DOI: 10.1021/jm960450v
BindingDB Entry DOI: 10.7270/Q2DN444V
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50036143
PNG
(5-{3-carboxy-5-chloro-4-hydroxyphenyl[1-(1,5-dimet...)
Show SMILES [H][C@@]12[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6])[C@@]1([#6])[#6]-[#6][C@@]1([H])[C@@]2([H])[#6]-[#6]-[#6]2-[#6]\[#6](-[#6]-[#6][C@]12[#6])=[#6](\c1cc(Cl)c(-[#8])c(c1)-[#6](-[#8])=O)-c1cc(Cl)c(-[#8])c(c1)-[#6](-[#8])=O
Show InChI InChI=1S/C42H54Cl2O6/c1-22(2)7-6-8-23(3)31-11-12-32-28-10-9-27-17-24(13-15-41(27,4)33(28)14-16-42(31,32)5)36(25-18-29(39(47)48)37(45)34(43)20-25)26-19-30(40(49)50)38(46)35(44)21-26/h18-23,27-28,31-33,45-46H,6-17H2,1-5H3,(H,47,48)(H,49,50)/t23?,27?,28-,31+,32-,33-,41-,42+/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of HIV -1 protease

J Med Chem 38: 443-52 (1995)


BindingDB Entry DOI: 10.7270/Q29G5KTX
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50036145
PNG
(5-[3-(1-adamantyl)-1-(3-carboxy-5-chloro-4-hydroxy...)
Show SMILES [#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8])-[#6](=[#6]/[#6]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)\c1cc(Cl)c(-[#8])c(c1)-[#6](-[#8])=O |TLB:17:18:22:16.15.21,THB:17:16:22:18.23.19,19:20:15:18.23.17,19:18:15:20.22.21|
Show InChI InChI=1S/C27H26Cl2O6/c28-21-8-16(6-19(23(21)30)25(32)33)18(17-7-20(26(34)35)24(31)22(29)9-17)1-2-27-10-13-3-14(11-27)5-15(4-13)12-27/h1,6-9,13-15,30-31H,2-5,10-12H2,(H,32,33)(H,34,35)
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n/an/a 370n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of HIV -1 protease

J Med Chem 38: 443-52 (1995)


BindingDB Entry DOI: 10.7270/Q29G5KTX
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50055711
PNG
(3-[4-di(4,7-dihydroxy-2-oxo-2H-3-chromenyl)methylp...)
Show SMILES Oc1ccc2c(O)c(C(c3ccc(cc3)C(c3c(O)c4ccc(O)cc4oc3=O)c3c(O)c4ccc(O)cc4oc3=O)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1
Show InChI InChI=1S/C44H26O16/c45-19-5-9-23-27(13-19)57-41(53)33(37(23)49)31(34-38(50)24-10-6-20(46)14-28(24)58-42(34)54)17-1-2-18(4-3-17)32(35-39(51)25-11-7-21(47)15-29(25)59-43(35)55)36-40(52)26-12-8-22(48)16-30(26)60-44(36)56/h1-16,31-32,45-52H
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n/an/a 370n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 3'-processing of DNA by HIV-1 integrase

J Med Chem 40: 242-9 (1997)


Article DOI: 10.1021/jm960450v
BindingDB Entry DOI: 10.7270/Q2DN444V
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50036144
PNG
(5-{1-(3-carboxy-5-chloro-4-hydroxyphenyl)-5-[7,7-d...)
Show SMILES [H][C@@]12[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]\[#6]=[#6](/c3cc(Cl)c(-[#8])c(c3)-[#6](-[#8])=O)-c3cc(Cl)c(-[#8])c(c3)-[#6](-[#8])=O)[C@@]1([#6])[#6]-[#6][C@@]1([H])[C@@]2([H])[#6]-[#6][C@]2([H])[#6]C(F)(F)[#6]-[#6][C@]12[#6]
Show InChI InChI=1S/C39H46Cl2F2O6/c1-20(28-9-10-29-25-8-7-23-19-39(42,43)14-13-37(23,2)30(25)11-12-38(28,29)3)5-4-6-24(21-15-26(35(46)47)33(44)31(40)17-21)22-16-27(36(48)49)34(45)32(41)18-22/h6,15-18,20,23,25,28-30,44-45H,4-5,7-14,19H2,1-3H3,(H,46,47)(H,48,49)/t20?,23-,25+,28-,29+,30+,37+,38-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of HIV -1 protease

J Med Chem 38: 443-52 (1995)


BindingDB Entry DOI: 10.7270/Q29G5KTX
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50000036
PNG
(4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ...)
Show SMILES CC(=O)Nc1cc(cc2cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C12H11NO8S2/c1-6(14)13-10-4-8(22(16,17)18)2-7-3-9(23(19,20)21)5-11(15)12(7)10/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21)
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n/an/a 470n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit HIV-1 integrase by 3' -processing method

J Med Chem 40: 920-9 (1997)


Article DOI: 10.1021/jm960596u
BindingDB Entry DOI: 10.7270/Q2S75H1Q
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056924
PNG
(3,4,5,N-Tetrahydroxy-benzamide | CHEMBL174366 | NS...)
Show SMILES ONC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C7H7NO5/c9-4-1-3(7(12)8-13)2-5(10)6(4)11/h1-2,9-11,13H,(H,8,12)
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n/an/a 500n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 2)		BDBM50056908
PNG
((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against strand transfer of HIV-2 integrase

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 2)		BDBM50056908
PNG
((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against 3'-processing of HIV-2 integrase

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056908
PNG
((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056937
PNG
(3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoi...)
Show SMILES OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)
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n/an/a 600n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056937
PNG
(3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoi...)
Show SMILES OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)
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n/an/a 600n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056908
PNG
((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056908
PNG
((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM502
PNG
(2-({4-[bis(3-hydroxy-1,4-dioxo-1,4-dihydronaphthal...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(cc1)C(C1C(=O)C(=O)c2ccccc2C1=O)C1C(=O)C(=O)c2ccccc2C1=O |w:13.14|
Show InChI InChI=1S/C48H26O12/c49-37-23-9-1-5-13-27(23)41(53)45(57)33(37)31(34-38(50)24-10-2-6-14-28(24)42(54)46(34)58)21-17-19-22(20-18-21)32(35-39(51)25-11-3-7-15-29(25)43(55)47(35)59)36-40(52)26-12-4-8-16-30(26)44(56)48(36)60/h1-20,31,33-34,51,55,59H
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n/an/a 750n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Protease.

J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM23408
PNG
(2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H
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n/an/a 800n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit HIV-1 integrase by 3' -processing method

J Med Chem 40: 920-9 (1997)


Article DOI: 10.1021/jm960596u
BindingDB Entry DOI: 10.7270/Q2S75H1Q
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM506
PNG
(3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...)
Show SMILES Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C44H26O12/c45-37-23-9-1-5-13-27(23)53-41(49)33(37)31(34-38(46)24-10-2-6-14-28(24)54-42(34)50)21-17-19-22(20-18-21)32(35-39(47)25-11-3-7-15-29(25)55-43(35)51)36-40(48)26-12-4-8-16-30(26)56-44(36)52/h1-20,31-32,45-48H
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n/an/a 800n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM506
PNG
(3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...)
Show SMILES Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C44H26O12/c45-37-23-9-1-5-13-27(23)53-41(49)33(37)31(34-38(46)24-10-2-6-14-28(24)54-42(34)50)21-17-19-22(20-18-21)32(35-39(47)25-11-3-7-15-29(25)55-43(35)51)36-40(48)26-12-4-8-16-30(26)56-44(36)52/h1-20,31-32,45-48H
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n/an/a 800n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against purified recombinant integrase by strand transfer in vitro assay

J Med Chem 40: 930-6 (1997)


Article DOI: 10.1021/jm960754h
BindingDB Entry DOI: 10.7270/Q24X56VR
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM506
PNG
(3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...)
Show SMILES Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C44H26O12/c45-37-23-9-1-5-13-27(23)53-41(49)33(37)31(34-38(46)24-10-2-6-14-28(24)54-42(34)50)21-17-19-22(20-18-21)32(35-39(47)25-11-3-7-15-29(25)55-43(35)51)36-40(48)26-12-4-8-16-30(26)56-44(36)52/h1-20,31-32,45-48H
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n/an/a 800n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Integration of DNA by HIV -1 integrase

J Med Chem 40: 242-9 (1997)


Article DOI: 10.1021/jm960450v
BindingDB Entry DOI: 10.7270/Q2DN444V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50057336
PNG
(2N-[3-(6,7-Dihydroxy-2-naphthyl carboxamido)propyl...)
Show SMILES Oc1cc2ccc(cc2cc1O)C(=O)NCCCNC(=O)c1ccc2cc(O)c(O)cc2c1
Show InChI InChI=1S/C25H22N2O6/c28-20-10-14-2-4-16(8-18(14)12-22(20)30)24(32)26-6-1-7-27-25(33)17-5-3-15-11-21(29)23(31)13-19(15)9-17/h2-5,8-13,28-31H,1,6-7H2,(H,26,32)(H,27,33)
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n/an/a 810n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase-mediated strand transfer

J Med Chem 40: 1186-94 (1997)


Article DOI: 10.1021/jm960449w
BindingDB Entry DOI: 10.7270/Q2M044H3
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056937
PNG
(3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoi...)
Show SMILES OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)
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n/an/a 900n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056938
PNG
(2,6,7-Trihydroxy-9-methyl-xanthen-3-one | CHEMBL17...)
Show SMILES Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
Show InChI InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3
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n/an/a 900n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50057336
PNG
(2N-[3-(6,7-Dihydroxy-2-naphthyl carboxamido)propyl...)
Show SMILES Oc1cc2ccc(cc2cc1O)C(=O)NCCCNC(=O)c1ccc2cc(O)c(O)cc2c1
Show InChI InChI=1S/C25H22N2O6/c28-20-10-14-2-4-16(8-18(14)12-22(20)30)24(32)26-6-1-7-27-25(33)17-5-3-15-11-21(29)23(31)13-19(15)9-17/h2-5,8-13,28-31H,1,6-7H2,(H,26,32)(H,27,33)
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n/an/a 980n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase-mediated 3'-processing

J Med Chem 40: 1186-94 (1997)


Article DOI: 10.1021/jm960449w
BindingDB Entry DOI: 10.7270/Q2M044H3
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 2)		BDBM506
PNG
(3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...)
Show SMILES Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C44H26O12/c45-37-23-9-1-5-13-27(23)53-41(49)33(37)31(34-38(46)24-10-2-6-14-28(24)54-42(34)50)21-17-19-22(20-18-21)32(35-39(47)25-11-3-7-15-29(25)55-43(35)51)36-40(48)26-12-4-8-16-30(26)56-44(36)52/h1-20,31-32,45-48H
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-2 Integrase was measured using 3'-processing (3'-proc) assay.

J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056924
PNG
(3,4,5,N-Tetrahydroxy-benzamide | CHEMBL174366 | NS...)
Show SMILES ONC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C7H7NO5/c9-4-1-3(7(12)8-13)2-5(10)6(4)11/h1-2,9-11,13H,(H,8,12)
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056938
PNG
(2,6,7-Trihydroxy-9-methyl-xanthen-3-one | CHEMBL17...)
Show SMILES Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
Show InChI InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056938
PNG
(2,6,7-Trihydroxy-9-methyl-xanthen-3-one | CHEMBL17...)
Show SMILES Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
Show InChI InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50055691
PNG
(3-[3-di(4-hydroxy-2-oxo-2H-3-chromenyl)methylpheny...)
Show SMILES Oc1c(C(c2cccc(c2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C44H26O12/c45-37-23-12-1-5-16-27(23)53-41(49)33(37)31(34-38(46)24-13-2-6-17-28(24)54-42(34)50)21-10-9-11-22(20-21)32(35-39(47)25-14-3-7-18-29(25)55-43(35)51)36-40(48)26-15-4-8-19-30(26)56-44(36)52/h1-20,31-32,45-48H
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n/an/a 1.20E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Integration of DNA by HIV -1 integrase

J Med Chem 40: 242-9 (1997)


Article DOI: 10.1021/jm960450v
BindingDB Entry DOI: 10.7270/Q2DN444V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056908
PNG
((1R,3R,4S,5R)-3,4-Bis-[(E)-3-(3,4-dihydroxy-phenyl...)
Show SMILES O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056937
PNG
(3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoi...)
Show SMILES OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
Show InChI InChI=1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)
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n/an/a 1.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 2)		BDBM50056938
PNG
(2,6,7-Trihydroxy-9-methyl-xanthen-3-one | CHEMBL17...)
Show SMILES Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
Show InChI InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against strand transfer of of HIV-2 integrase

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM506
PNG
(3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...)
Show SMILES Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C44H26O12/c45-37-23-9-1-5-13-27(23)53-41(49)33(37)31(34-38(46)24-10-2-6-14-28(24)54-42(34)50)21-17-19-22(20-18-21)32(35-39(47)25-11-3-7-15-29(25)55-43(35)51)36-40(48)26-12-4-8-16-30(26)56-44(36)52/h1-20,31-32,45-48H
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n/an/a 1.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase

J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM506
PNG
(3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...)
Show SMILES Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C44H26O12/c45-37-23-9-1-5-13-27(23)53-41(49)33(37)31(34-38(46)24-10-2-6-14-28(24)54-42(34)50)21-17-19-22(20-18-21)32(35-39(47)25-11-3-7-15-29(25)55-43(35)51)36-40(48)26-12-4-8-16-30(26)56-44(36)52/h1-20,31-32,45-48H
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n/an/a 1.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against purified recombinant integrase by 3'-processing in vitro assay

J Med Chem 40: 930-6 (1997)


Article DOI: 10.1021/jm960754h
BindingDB Entry DOI: 10.7270/Q24X56VR
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM506
PNG
(3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...)
Show SMILES Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C44H26O12/c45-37-23-9-1-5-13-27(23)53-41(49)33(37)31(34-38(46)24-10-2-6-14-28(24)54-42(34)50)21-17-19-22(20-18-21)32(35-39(47)25-11-3-7-15-29(25)55-43(35)51)36-40(48)26-12-4-8-16-30(26)56-44(36)52/h1-20,31-32,45-48H
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n/an/a 1.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 3'-processing of DNA by HIV-1 integrase

J Med Chem 40: 242-9 (1997)


Article DOI: 10.1021/jm960450v
BindingDB Entry DOI: 10.7270/Q2DN444V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056938
PNG
(2,6,7-Trihydroxy-9-methyl-xanthen-3-one | CHEMBL17...)
Show SMILES Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
Show InChI InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056874
PNG
(2-Hydroxy-benzoic acid N'-(2-hydroxy-3-phenoxy-pro...)
Show SMILES OC(CNNC(=O)c1ccccc1O)COc1ccccc1
Show InChI InChI=1S/C16H18N2O4/c19-12(11-22-13-6-2-1-3-7-13)10-17-18-16(21)14-8-4-5-9-15(14)20/h1-9,12,17,19-20H,10-11H2,(H,18,21)
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n/an/a 1.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against purified recombinant integrase by strand transfer in vitro assay

J Med Chem 40: 930-6 (1997)


Article DOI: 10.1021/jm960754h
BindingDB Entry DOI: 10.7270/Q24X56VR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50451175
PNG
(CHEMBL3138187)
Show SMILES [H][C@@]12[#6]-[#6]-[#6@H](-[#6](-[#6])-[#6]-[#6]-[#6]-[#6](-[#6])-[#6])[C@@]1([#6])[#6]-[#6][C@@]1([H])[C@@]2([H])[#6]-[#6]-[#6]2-[#6]-[#6@@H](-[#6]-[#6]\[#6]=[#6](\c3cc(Cl)c(-[#8])c(c3)-[#6](-[#8])=O)-c3cc(Cl)c(-[#8])c(c3)-[#6](-[#8])=O)-[#6]-[#6][C@]12[#6]
Show InChI InChI=1S/C45H60Cl2O6/c1-25(2)8-6-9-26(3)35-14-15-36-32-13-12-30-20-27(16-18-44(30,4)37(32)17-19-45(35,36)5)10-7-11-31(28-21-33(42(50)51)40(48)38(46)23-28)29-22-34(43(52)53)41(49)39(47)24-29/h11,21-27,30,32,35-37,48-49H,6-10,12-20H2,1-5H3,(H,50,51)(H,52,53)/t26?,27-,30?,32-,35+,36-,37-,44-,45+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of HIV -1 protease

J Med Chem 38: 443-52 (1995)


BindingDB Entry DOI: 10.7270/Q29G5KTX
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056915
PNG
(2-Chloro-3-hydroxy-8-methoxy-1,6,9-trimethyl-11-ox...)
Show SMILES COc1cc(C)c2Oc3c(C=O)c(O)c(Cl)c(C)c3C(=O)Oc2c1C
Show InChI InChI=1S/C18H15ClO6/c1-7-5-11(23-4)8(2)16-15(7)24-17-10(6-20)14(21)13(19)9(3)12(17)18(22)25-16/h5-6,21H,1-4H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 2)		BDBM50056924
PNG
(3,4,5,N-Tetrahydroxy-benzamide | CHEMBL174366 | NS...)
Show SMILES ONC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C7H7NO5/c9-4-1-3(7(12)8-13)2-5(10)6(4)11/h1-2,9-11,13H,(H,8,12)
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n/an/a 1.60E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against 3' processing of HIV-2 integrase

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 2)		BDBM50056924
PNG
(3,4,5,N-Tetrahydroxy-benzamide | CHEMBL174366 | NS...)
Show SMILES ONC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C7H7NO5/c9-4-1-3(7(12)8-13)2-5(10)6(4)11/h1-2,9-11,13H,(H,8,12)
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n/an/a 1.60E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against strand transfer of HIV- integrase

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056924
PNG
(3,4,5,N-Tetrahydroxy-benzamide | CHEMBL174366 | NS...)
Show SMILES ONC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C7H7NO5/c9-4-1-3(7(12)8-13)2-5(10)6(4)11/h1-2,9-11,13H,(H,8,12)
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n/an/a 1.60E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM506
PNG
(3-({4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]...)
Show SMILES Oc1c(C(c2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C44H26O12/c45-37-23-9-1-5-13-27(23)53-41(49)33(37)31(34-38(46)24-10-2-6-14-28(24)54-42(34)50)21-17-19-22(20-18-21)32(35-39(47)25-11-3-7-15-29(25)55-43(35)51)36-40(48)26-12-4-8-16-30(26)56-44(36)52/h1-20,31-32,45-48H
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n/an/a 1.70E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 Protease.

J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50055700
PNG
(3-(4,7-dihydroxy-2-oxo-2H-3-chromenyl{4-[2-phenyl-...)
Show SMILES Oc1ccc2c(O)c(C(c3ccc(\C=C\c4ccccc4)cc3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1
Show InChI InChI=1S/C33H22O8/c34-21-12-14-23-25(16-21)40-32(38)28(30(23)36)27(29-31(37)24-15-13-22(35)17-26(24)41-33(29)39)20-10-8-19(9-11-20)7-6-18-4-2-1-3-5-18/h1-17,27,34-37H/b7-6+
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n/an/a 1.80E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Integration of DNA by HIV -1 integrase

J Med Chem 40: 242-9 (1997)


Article DOI: 10.1021/jm960450v
BindingDB Entry DOI: 10.7270/Q2DN444V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50056922
PNG
(1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,...)
Show SMILES COc1cc(C)c2c(Oc3c4C(O)OC(=O)c4c(O)c(C)c3OC2=O)c1C=O
Show InChI InChI=1S/C19H14O9/c1-6-4-9(25-3)8(5-20)15-10(6)17(22)27-14-7(2)13(21)11-12(16(14)26-15)19(24)28-18(11)23/h4-5,19,21,24H,1-3H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2

J Med Chem 40: 942-51 (1997)


Article DOI: 10.1021/jm960759e
BindingDB Entry DOI: 10.7270/Q2NK3FPV
More data for this
Ligand-Target Pair
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