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Compile Data Set for Download or QSAR

Found 1721 hits with Last Name = 'marchand' and Initial = 'c'   
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
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))		BDBM50388546
PNG
(CHEMBL213072 | CHEMBL333363)
Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C19H16N2O2/c20-10-5-11-21-17-13-7-2-3-8-14(13)18(22)16(17)12-6-1-4-9-15(12)19(21)23/h1-4,6-9H,5,10-11,20H2
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 3.19E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant Tdp1 after 1 hr by FRET assay

J Med Chem 55: 4457-78 (2012)


Article DOI: 10.1021/jm300335n
BindingDB Entry DOI: 10.7270/Q2SB46TZ
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Francisella tularensis subsp. tularensis (strain S...)		BDBM50436715
PNG
(CHEMBL2398661)
Show SMILES O=C(COc1ccccc1)NCCSc1c[nH]c2ccccc12
Show InChI InChI=1S/C18H18N2O2S/c21-18(13-22-14-6-2-1-3-7-14)19-10-11-23-17-12-20-16-9-5-4-8-15(16)17/h1-9,12,20H,10-11,13H2,(H,19,21)
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 3.40E+3n/an/an/an/an/an/an/an/a



Naval Research Laboratories

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrat...

J Med Chem 56: 5275-87 (2014)


Article DOI: 10.1021/jm4001242
BindingDB Entry DOI: 10.7270/Q2D79CTG
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Francisella tularensis subsp. tularensis (strain S...)		BDBM50436718
PNG
(CHEMBL1341978)
Show SMILES O=C(CC1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C25H34N4O4S/c30-23(18-19-6-2-1-3-7-19)28-16-12-21(13-17-28)25-26-24(27-33-25)20-8-10-22(11-9-20)34(31,32)29-14-4-5-15-29/h8-11,19,21H,1-7,12-18H2
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 7.00E+3n/an/an/an/an/an/an/an/a



Naval Research Laboratories

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrat...

J Med Chem 56: 5275-87 (2014)


Article DOI: 10.1021/jm4001242
BindingDB Entry DOI: 10.7270/Q2D79CTG
More data for this
Ligand-Target Pair
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 7n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay

J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
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 7n/an/an/an/an/an/a



"Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of recombinant HIV1 integrase using 5'-end-labeled 21-mer double-stranded DNA as substrate after 60 mins by el...

J Med Chem 56: 8588-98 (2013)


Article DOI: 10.1021/jm401040b
BindingDB Entry DOI: 10.7270/Q2BZ690C
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50020284
PNG
(CHEMBL3288833)
Show SMILES COC(=O)[C@H](Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12)c1ccccc1 |r|
Show InChI InChI=1S/C25H20F2N4O5/c1-36-25(34)20(14-6-3-2-4-7-14)30-21-17-8-5-11-28-22(17)31(35)24(33)19(21)23(32)29-13-15-9-10-16(26)12-18(15)27/h2-12,20,30,35H,13H2,1H3,(H,29,32)/t20-/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate

J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50020294
PNG
(CHEMBL3288834)
Show SMILES COC(=O)[C@H](CO)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 |r|
Show InChI InChI=1S/C20H18F2N4O6/c1-32-20(30)14(9-27)25-16-12-3-2-6-23-17(12)26(31)19(29)15(16)18(28)24-8-10-4-5-11(21)7-13(10)22/h2-7,14,25,27,31H,8-9H2,1H3,(H,24,28)/t14-/m0/s1
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n/an/a 8.40n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate

J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498306
PNG
(CHEMBL3582062)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2F)c2ccccc2c1=O
Show InChI InChI=1S/C20H13F2NO5/c21-12-6-5-11(15(22)7-12)9-23-10-14(17(24)8-18(25)20(27)28)19(26)13-3-1-2-4-16(13)23/h1-8,10,25H,9H2,(H,27,28)/b18-8-
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n/an/a 10n/an/an/an/an/an/a



"Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase assessed as inhibition of strand transfer activity using 32P-labeled DNA as substrate after 1 hr by gel-based assay in ...

J Med Chem 58: 4610-23 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00159
BindingDB Entry DOI: 10.7270/Q2QC06H4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50020278
PNG
(CHEMBL3288827)
Show SMILES OCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
Show InChI InChI=1S/C18H16F2N4O4/c19-11-4-3-10(13(20)8-11)9-23-17(26)14-15(21-6-7-25)12-2-1-5-22-16(12)24(28)18(14)27/h1-5,8,21,25,28H,6-7,9H2,(H,23,26)
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n/an/a 10n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate

J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50020283
PNG
(CHEMBL3288832)
Show SMILES COC(=O)[C@@H](Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12)c1ccccc1 |r|
Show InChI InChI=1S/C25H20F2N4O5/c1-36-25(34)20(14-6-3-2-4-7-14)30-21-17-8-5-11-28-22(17)31(35)24(33)19(21)23(32)29-13-15-9-10-16(26)12-18(15)27/h2-12,20,30,35H,13H2,1H3,(H,29,32)/t20-/m0/s1
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National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate

J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50123468
PNG
(CHEMBL32865 | [3-Benzyl-5-(1,1-dioxo-1lambda 6 -is...)
Show SMILES Oc1c(ncc2cccnc12)C(=O)c1cc(CN2CCCS2(=O)=O)cc(Cc2ccccc2)c1
Show InChI InChI=1S/C26H23N3O4S/c30-25(24-26(31)23-21(16-28-24)8-4-9-27-23)22-14-19(12-18-6-2-1-3-7-18)13-20(15-22)17-29-10-5-11-34(29,32)33/h1-4,6-9,13-16,31H,5,10-12,17H2
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n/an/a 10n/an/an/an/an/an/a



Fondazione Cenci BolognettiUniversit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium

J Med Chem 51: 4744-50 (2008)


Article DOI: 10.1021/jm8001422
BindingDB Entry DOI: 10.7270/Q2GM8B3P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50479082
PNG
(CHEMBL497501)
Show SMILES OC(=O)C(\O)=C\C(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-9,11,29-30H,10H2,(H,32,33)(H,34,35)/b20-8-,21-9-
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n/an/a 12n/an/an/an/an/an/a



"Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase assessed as inhibition of strand transfer activity using 32P-labeled DNA as substrate after 1 hr by gel-based assay in ...

J Med Chem 58: 4610-23 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00159
BindingDB Entry DOI: 10.7270/Q2QC06H4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50184349
PNG
((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)
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n/an/a 12n/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity in presence of MnCl2

J Med Chem 49: 1939-45 (2006)


Article DOI: 10.1021/jm0511583
BindingDB Entry DOI: 10.7270/Q2GT5MRF
More data for this
Ligand-Target Pair
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)		BDBM50020307
PNG
(CHEMBL3288835)
Show SMILES COC(=O)[C@@H](CO)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 |r|
Show InChI InChI=1S/C20H18F2N4O6/c1-32-20(30)14(9-27)25-16-12-3-2-6-23-17(12)26(31)19(29)15(16)18(28)24-8-10-4-5-11(21)7-13(10)22/h2-7,14,25,27,31H,8-9H2,1H3,(H,24,28)/t14-/m1/s1
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National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate

J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50496325
PNG
(CHEMBL3125979)
Show SMILES On1c2ncccc2cc(C(=O)NCc2ccc(F)c(Cl)c2)c1=O
Show InChI InChI=1S/C16H11ClFN3O3/c17-12-6-9(3-4-13(12)18)8-20-15(22)11-7-10-2-1-5-19-14(10)21(24)16(11)23/h1-7,24H,8H2,(H,20,22)
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n/an/a 14n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase-mediated strand transfer activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysi...

J Med Chem 57: 1573-82 (2014)


Article DOI: 10.1021/jm401902n
BindingDB Entry DOI: 10.7270/Q22J6FT5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50486615
PNG
(CHEMBL2236599)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2cccc(F)c2)c2ccccc2c1=O
Show InChI InChI=1S/C20H14FNO5/c21-13-5-3-4-12(8-13)10-22-11-15(17(23)9-18(24)20(26)27)19(25)14-6-1-2-7-16(14)22/h1-9,11,24H,10H2,(H,26,27)/b18-9-
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n/an/a 15n/an/an/an/an/an/a



"Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase assessed as inhibition of strand transfer activity using 32P-labeled DNA as substrate after 1 hr by gel-based assay in ...

J Med Chem 58: 4610-23 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00159
BindingDB Entry DOI: 10.7270/Q2QC06H4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50184349
PNG
((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)
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n/an/a 16n/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity in presence of MgCl2 by plate-based electrochemiluminescent assay

J Med Chem 49: 1939-45 (2006)


Article DOI: 10.1021/jm0511583
BindingDB Entry DOI: 10.7270/Q2GT5MRF
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50479082
PNG
(CHEMBL497501)
Show SMILES OC(=O)C(\O)=C\C(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-9,11,29-30H,10H2,(H,32,33)(H,34,35)/b20-8-,21-9-
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Fondazione Cenci BolognettiUniversit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium

J Med Chem 51: 4744-50 (2008)


Article DOI: 10.1021/jm8001422
BindingDB Entry DOI: 10.7270/Q2GM8B3P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50020276
PNG
(CHEMBL3288825)
Show SMILES CC(C)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
Show InChI InChI=1S/C19H18F2N4O3/c1-10(2)24-16-13-4-3-7-22-17(13)25(28)19(27)15(16)18(26)23-9-11-5-6-12(20)8-14(11)21/h3-8,10,24,28H,9H2,1-2H3,(H,23,26)
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n/an/a 16n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate

J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498303
PNG
(CHEMBL3582057)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccccc2F)c2ccccc2c1=O
Show InChI InChI=1S/C20H14FNO5/c21-15-7-3-1-5-12(15)10-22-11-14(17(23)9-18(24)20(26)27)19(25)13-6-2-4-8-16(13)22/h1-9,11,24H,10H2,(H,26,27)/b18-9-
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n/an/a 16n/an/an/an/an/an/a



"Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase assessed as inhibition of strand transfer activity using 32P-labeled DNA as substrate after 1 hr by gel-based assay in ...

J Med Chem 58: 4610-23 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00159
BindingDB Entry DOI: 10.7270/Q2QC06H4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50496313
PNG
(CHEMBL3125980)
Show SMILES On1c2ncccc2cc(C(=O)NCc2ccc(F)c(F)c2)c1=O
Show InChI InChI=1S/C16H11F2N3O3/c17-12-4-3-9(6-13(12)18)8-20-15(22)11-7-10-2-1-5-19-14(10)21(24)16(11)23/h1-7,24H,8H2,(H,20,22)
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n/an/a 17n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase-mediated strand transfer activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysi...

J Med Chem 57: 1573-82 (2014)


Article DOI: 10.1021/jm401902n
BindingDB Entry DOI: 10.7270/Q22J6FT5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50020281
PNG
(CHEMBL3288830)
Show SMILES COC(=O)[C@H](C)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 |r|
Show InChI InChI=1S/C20H18F2N4O5/c1-10(20(29)31-2)25-16-13-4-3-7-23-17(13)26(30)19(28)15(16)18(27)24-9-11-5-6-12(21)8-14(11)22/h3-8,10,25,30H,9H2,1-2H3,(H,24,27)/t10-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate

J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50184349
PNG
((Z)-4-[6-((Z)-3-carboxy-3-hydroxy-acryloyl)-1-(4-f...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)CC(=O)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-7,11H,8-10H2,(H,32,33)(H,34,35)
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n/an/a 17n/an/an/an/an/an/a



Università di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity in presence of MgCl2 by gel-based assay

J Med Chem 49: 1939-45 (2006)


Article DOI: 10.1021/jm0511583
BindingDB Entry DOI: 10.7270/Q2GT5MRF
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50479082
PNG
(CHEMBL497501)
Show SMILES OC(=O)C(\O)=C\C(=O)c1ccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C24H16FNO9/c25-14-4-1-12(2-5-14)10-26-11-16(19(28)9-21(30)24(34)35)22(31)15-7-13(3-6-17(15)26)18(27)8-20(29)23(32)33/h1-9,11,29-30H,10H2,(H,32,33)(H,34,35)/b20-8-,21-9-
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n/an/a 17n/an/an/an/an/an/a



Fondazione Cenci BolognettiUniversit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based assay in presence of magnesium

J Med Chem 51: 4744-50 (2008)


Article DOI: 10.1021/jm8001422
BindingDB Entry DOI: 10.7270/Q2GM8B3P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50498284
PNG
(CHEMBL3582070)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2cccc(Cl)c2F)c2ccccc2c1=O
Show InChI InChI=1S/C20H13ClFNO5/c21-14-6-3-4-11(18(14)22)9-23-10-13(16(24)8-17(25)20(27)28)19(26)12-5-1-2-7-15(12)23/h1-8,10,25H,9H2,(H,27,28)/b17-8-
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n/an/a 18n/an/an/an/an/an/a



"Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase assessed as inhibition of strand transfer activity using 32P-labeled DNA as substrate after 1 hr by gel-based assay in ...

J Med Chem 58: 4610-23 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00159
BindingDB Entry DOI: 10.7270/Q2QC06H4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50479098
PNG
(CHEMBL498698)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2c(F)cccc2c1=O
Show InChI InChI=1S/C20H13F2NO5/c21-12-6-4-11(5-7-12)9-23-10-14(16(24)8-17(25)20(27)28)19(26)13-2-1-3-15(22)18(13)23/h1-8,10,25H,9H2,(H,27,28)/b17-8-
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n/an/a 18n/an/an/an/an/an/a



Fondazione Cenci BolognettiUniversit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium

J Med Chem 51: 4744-50 (2008)


Article DOI: 10.1021/jm8001422
BindingDB Entry DOI: 10.7270/Q2GM8B3P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50020259
PNG
(CHEMBL3288817)
Show SMILES On1c2ncccc2c(Nc2ccccc2)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C22H16F2N4O3/c23-14-9-8-13(17(24)11-14)12-26-21(29)18-19(27-15-5-2-1-3-6-15)16-7-4-10-25-20(16)28(31)22(18)30/h1-11,27,31H,12H2,(H,26,29)
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n/an/a 18n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate

J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50479086
PNG
(CHEMBL497688)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C20H13ClFNO5/c21-12-3-6-14-16(7-12)23(9-11-1-4-13(22)5-2-11)10-15(19(14)26)17(24)8-18(25)20(27)28/h1-8,10,25H,9H2,(H,27,28)/b18-8-
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n/an/a 19n/an/an/an/an/an/a



Fondazione Cenci BolognettiUniversit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium

J Med Chem 51: 4744-50 (2008)


Article DOI: 10.1021/jm8001422
BindingDB Entry DOI: 10.7270/Q2GM8B3P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50486614
PNG
(RDS-1984)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2c(F)cccc2F)c2ccccc2c1=O
Show InChI InChI=1S/C20H13F2NO5/c21-14-5-3-6-15(22)12(14)9-23-10-13(17(24)8-18(25)20(27)28)19(26)11-4-1-2-7-16(11)23/h1-8,10,25H,9H2,(H,27,28)/b18-8-
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n/an/a 19n/an/an/an/an/an/a



"Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase assessed as inhibition of strand transfer activity using 32P-labeled DNA as substrate after 1 hr by gel-based assay in ...

J Med Chem 58: 4610-23 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00159
BindingDB Entry DOI: 10.7270/Q2QC06H4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50020309
PNG
(CHEMBL3288837)
Show SMILES Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
Show InChI InChI=1S/C16H12F2N4O3/c17-9-4-3-8(11(18)6-9)7-21-15(23)12-13(19)10-2-1-5-20-14(10)22(25)16(12)24/h1-6,25H,7,19H2,(H,21,23)
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n/an/a 19n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate

J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50076169
PNG
(CHEMBL3415853)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cc(cn1Cc1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C21H16FNO4/c22-17-8-6-14(7-9-17)12-23-13-16(15-4-2-1-3-5-15)10-18(23)19(24)11-20(25)21(26)27/h1-11,13,25H,12H2,(H,26,27)/b20-11-
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n/an/a 19n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay

J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50479087
PNG
(CHEMBL498697)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(F)ccc2c1=O
Show InChI InChI=1S/C20H13F2NO5/c21-12-3-1-11(2-4-12)9-23-10-15(17(24)8-18(25)20(27)28)19(26)14-6-5-13(22)7-16(14)23/h1-8,10,25H,9H2,(H,27,28)/b18-8-
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n/an/a 20n/an/an/an/an/an/a



Fondazione Cenci BolognettiUniversit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium

J Med Chem 51: 4744-50 (2008)


Article DOI: 10.1021/jm8001422
BindingDB Entry DOI: 10.7270/Q2GM8B3P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50020280
PNG
(CHEMBL3288829)
Show SMILES COC(=O)CNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
Show InChI InChI=1S/C19H16F2N4O5/c1-30-14(26)9-23-16-12-3-2-6-22-17(12)25(29)19(28)15(16)18(27)24-8-10-4-5-11(20)7-13(10)21/h2-7,23,29H,8-9H2,1H3,(H,24,27)
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n/an/a 21n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate

J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50076179
PNG
(CHEMBL3415843)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)cc1-c1ccccc1
Show InChI InChI=1S/C21H16FNO4/c22-16-8-6-14(7-9-16)11-23-12-17(15-4-2-1-3-5-15)18(13-23)19(24)10-20(25)21(26)27/h1-10,12-13,25H,11H2,(H,26,27)/b20-10-
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n/an/a 22n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay

J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50020267
PNG
(CHEMBL3288824)
Show SMILES CCCCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
Show InChI InChI=1S/C21H22F2N4O3/c1-2-3-4-9-24-18-15-6-5-10-25-19(15)27(30)21(29)17(18)20(28)26-12-13-7-8-14(22)11-16(13)23/h5-8,10-11,24,30H,2-4,9,12H2,1H3,(H,26,28)
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n/an/a 24n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate

J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50076177
PNG
(CHEMBL3415845)
Show SMILES OC(=O)C(\O)=C\C(=O)c1ccn(Cc2ccc(F)cc2)c1
Show InChI InChI=1S/C15H12FNO4/c16-12-3-1-10(2-4-12)8-17-6-5-11(9-17)13(18)7-14(19)15(20)21/h1-7,9,19H,8H2,(H,20,21)/b14-7-
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n/an/a 24n/an/an/an/an/an/a



Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity by gel-based assay

J Med Chem 58: 1915-28 (2015)


Article DOI: 10.1021/jm501799k
BindingDB Entry DOI: 10.7270/Q2QJ7JZG
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))		BDBM188529
PNG
(2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...)
Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)
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n/an/a 25n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
Ten-million cells (1 x 107), either human, chicken DT40 wild type, or knockout for TDP2 and complemented with human TDP2, were collected, washed, and...

ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50142736
PNG
((E)-6-[1-(4-Fluoro-benzyl)-1H-pyrrol-2-yl]-2,4-dio...)
Show SMILES OC(=O)C(=O)CC(=O)C=Cc1cccn1Cc1ccc(F)cc1 |w:8.7|
Show InChI InChI=1S/C17H14FNO4/c18-13-5-3-12(4-6-13)11-19-9-1-2-14(19)7-8-15(20)10-16(21)17(22)23/h1-9H,10-11H2,(H,22,23)
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n/an/a 26n/an/an/an/an/an/a



"Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of recombinant HIV1 integrase using 5'-end-labeled 21-mer double-stranded DNA as substrate after 60 mins by el...

J Med Chem 56: 8588-98 (2013)


Article DOI: 10.1021/jm401040b
BindingDB Entry DOI: 10.7270/Q2BZ690C
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50020260
PNG
(CHEMBL3288818)
Show SMILES CNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
Show InChI InChI=1S/C17H14F2N4O3/c1-20-14-11-3-2-6-21-15(11)23(26)17(25)13(14)16(24)22-8-9-4-5-10(18)7-12(9)19/h2-7,20,26H,8H2,1H3,(H,22,24)
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n/an/a 27n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate

J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50496319
PNG
(CHEMBL3125970)
Show SMILES Oc1c(C(=O)NCc2ccc(F)c(Cl)c2)c(=O)n(O)c2ncccc12
Show InChI InChI=1S/C16H11ClFN3O4/c17-10-6-8(3-4-11(10)18)7-20-15(23)12-13(22)9-2-1-5-19-14(9)21(25)16(12)24/h1-6,22,25H,7H2,(H,20,23)
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n/an/a 27n/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase-mediated strand transfer activity using [32P]-labeled oligonucleotide as substrate after 2 hrs by densitometric analysi...

J Med Chem 57: 1573-82 (2014)


Article DOI: 10.1021/jm401902n
BindingDB Entry DOI: 10.7270/Q22J6FT5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50020282
PNG
(CHEMBL3288831)
Show SMILES COC(=O)[C@@H](C)Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 |r|
Show InChI InChI=1S/C20H18F2N4O5/c1-10(20(29)31-2)25-16-13-4-3-7-23-17(13)26(30)19(28)15(16)18(27)24-9-11-5-6-12(21)8-14(11)22/h3-8,10,25,30H,9H2,1-2H3,(H,24,27)/t10-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate

J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50020279
PNG
(CHEMBL3288828)
Show SMILES CC(=O)OCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
Show InChI InChI=1S/C20H18F2N4O5/c1-11(27)31-8-7-23-17-14-3-2-6-24-18(14)26(30)20(29)16(17)19(28)25-10-12-4-5-13(21)9-15(12)22/h2-6,9,23,30H,7-8,10H2,1H3,(H,25,28)
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n/an/a 27n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV-1 integrase using [gamma-32P]-labeled DNA as substrate

J Med Chem 57: 5190-202 (2014)


Article DOI: 10.1021/jm5001908
BindingDB Entry DOI: 10.7270/Q2JS9S0F
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50183273
PNG
((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r|
Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Sapienza" Universit£ di Roma

Curated by ChEMBL


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

J Med Chem 57: 3223-34 (2014)


Article DOI: 10.1021/jm5001503
BindingDB Entry DOI: 10.7270/Q25Q4XM5
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50183273
PNG
((S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-met...)
Show SMILES COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)[C@H](CO)C(C)C |r|
Show InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



"Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase assessed as inhibition of strand transfer activity using 32P-labeled DNA as substrate after 1 hr by gel-based assay in ...

J Med Chem 58: 4610-23 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00159
BindingDB Entry DOI: 10.7270/Q2QC06H4
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50479097
PNG
(CHEMBL496652)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C20H13ClFNO5/c21-12-3-6-16-14(7-12)19(26)15(17(24)8-18(25)20(27)28)10-23(16)9-11-1-4-13(22)5-2-11/h1-8,10,25H,9H2,(H,27,28)/b18-8-
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n/an/a 28n/an/an/an/an/an/a



Fondazione Cenci BolognettiUniversit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium

J Med Chem 51: 4744-50 (2008)


Article DOI: 10.1021/jm8001422
BindingDB Entry DOI: 10.7270/Q2GM8B3P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50479084
PNG
(CHEMBL496454)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(ccc2c1=O)N1CCCC1
Show InChI InChI=1S/C24H21FN2O5/c25-16-5-3-15(4-6-16)13-27-14-19(21(28)12-22(29)24(31)32)23(30)18-8-7-17(11-20(18)27)26-9-1-2-10-26/h3-8,11-12,14,29H,1-2,9-10,13H2,(H,31,32)/b22-12-
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n/an/a 28n/an/an/an/an/an/a



Fondazione Cenci BolognettiUniversit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium

J Med Chem 51: 4744-50 (2008)


Article DOI: 10.1021/jm8001422
BindingDB Entry DOI: 10.7270/Q2GM8B3P
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 [E242G,S244A,Q278R,I281T,K282R,R316G,P318T,Y321CH323L]


(Mus musculus (Mouse))		BDBM188529
PNG
(2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...)
Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)
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n/an/a 29n/an/an/an/a7.5n/a



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...

ACS Chem Biol 11: 1925-33 (2016)


Article DOI: 10.1021/acschembio.5b01047
BindingDB Entry DOI: 10.7270/Q2G15ZN9
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50479096
PNG
(CHEMBL498713)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)c(Cl)cc2c1=O
Show InChI InChI=1S/C20H12Cl2FNO5/c21-14-5-12-16(6-15(14)22)24(8-10-1-3-11(23)4-2-10)9-13(19(12)27)17(25)7-18(26)20(28)29/h1-7,9,26H,8H2,(H,28,29)/b18-7-
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n/an/a 33n/an/an/an/an/an/a



Fondazione Cenci BolognettiUniversit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium

J Med Chem 51: 4744-50 (2008)


Article DOI: 10.1021/jm8001422
BindingDB Entry DOI: 10.7270/Q2GM8B3P
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50479096
PNG
(CHEMBL498713)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(F)cc2)c2cc(Cl)c(Cl)cc2c1=O
Show InChI InChI=1S/C20H12Cl2FNO5/c21-14-5-12-16(6-15(14)22)24(8-10-1-3-11(23)4-2-10)9-13(19(12)27)17(25)7-18(26)20(28)29/h1-7,9,26H,8H2,(H,28,29)/b18-7-
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"Sapienza" Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase assessed as inhibition of strand transfer activity using 32P-labeled DNA as substrate after 1 hr by gel-based assay in ...

J Med Chem 58: 4610-23 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00159
BindingDB Entry DOI: 10.7270/Q2QC06H4
More data for this
Ligand-Target Pair
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