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Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50044543   
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)
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
PDB
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UniProtKB/TrEMBL

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Article
PubMed
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
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
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)
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
PDB
MMDB

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UniChem

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Article
PubMed
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)
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)
PDB
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UniChem

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Article
PubMed
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)
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
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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PC sid
UniChem

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Article
PubMed
n/an/a 13n/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)
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)
PDB
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UniProtKB/TrEMBL

B.MOAD
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UniChem

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Article
PubMed
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)
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
PDB
MMDB

UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
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)
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)
PDB
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UniProtKB/TrEMBL

B.MOAD
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Article
PubMed
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)
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC sid
UniChem

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Article
PubMed
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)
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
PDB
UniChem

Patents


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Article
PubMed
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)
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC sid
UniChem

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Article
PubMed
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)
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)
PDB
MMDB

UniProtKB/TrEMBL

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UniChem

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Article
PubMed
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)
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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

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Article
PubMed
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)
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
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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UniChem

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Article
PubMed
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)
BDBM50020277
PNG
(CHEMBL3288826)
Show SMILES NCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
Show InChI InChI=1S/C18H17F2N5O3/c19-11-4-3-10(13(20)8-11)9-24-17(26)14-15(22-7-5-21)12-2-1-6-23-16(12)25(28)18(14)27/h1-4,6,8,22,28H,5,7,9,21H2,(H,24,26)
PDB
MMDB

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UniChem

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Article
PubMed
n/an/a 39n/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)
BDBM50020265
PNG
(CHEMBL3288822)
Show SMILES On1c2ncccc2c(NCCc2ccccc2)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C24H20F2N4O3/c25-17-9-8-16(19(26)13-17)14-29-23(31)20-21(27-12-10-15-5-2-1-3-6-15)18-7-4-11-28-22(18)30(33)24(20)32/h1-9,11,13,27,33H,10,12,14H2,(H,29,31)
PDB
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Article
PubMed
n/an/a 50n/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)
BDBM50020263
PNG
(CHEMBL3288820)
Show SMILES On1c2ncccc2c(N2CCOCC2)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C20H18F2N4O4/c21-13-4-3-12(15(22)10-13)11-24-19(27)16-17(25-6-8-30-9-7-25)14-2-1-5-23-18(14)26(29)20(16)28/h1-5,10,29H,6-9,11H2,(H,24,27)
PDB
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Article
PubMed
n/an/a 79n/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)
BDBM50020262
PNG
(CHEMBL3288819)
Show SMILES CN(C)c1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
Show InChI InChI=1S/C18H16F2N4O3/c1-23(2)15-12-4-3-7-21-16(12)24(27)18(26)14(15)17(25)22-9-10-5-6-11(19)8-13(10)20/h3-8,27H,9H2,1-2H3,(H,22,25)
PDB
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Article
PubMed
n/an/a 87n/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)
BDBM50020256
PNG
(CHEMBL3288815)
Show SMILES On1c2ncccc2c(Nc2ccc(cc2)-c2ccc(cc2)C#N)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C29H19F2N5O3/c30-21-10-7-20(24(31)14-21)16-34-28(37)25-26(23-2-1-13-33-27(23)36(39)29(25)38)35-22-11-8-19(9-12-22)18-5-3-17(15-32)4-6-18/h1-14,35,39H,16H2,(H,34,37)
PDB
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Article
PubMed
n/an/a 130n/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)
BDBM50020257
PNG
(CHEMBL3288816)
Show SMILES Nc1ccc(cc1)-c1ccc(Nc2c(C(=O)NCc3ccc(F)cc3F)c(=O)n(O)c3ncccc23)cc1
Show InChI InChI=1S/C28H21F2N5O3/c29-19-8-3-18(23(30)14-19)15-33-27(36)24-25(22-2-1-13-32-26(22)35(38)28(24)37)34-21-11-6-17(7-12-21)16-4-9-20(31)10-5-16/h1-14,34,38H,15,31H2,(H,33,36)
PDB
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Article
PubMed
n/an/a 130n/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)
BDBM50020266
PNG
(CHEMBL3288823)
Show SMILES On1c2ncccc2c(NCCCCc2ccccc2)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C26H24F2N4O3/c27-19-12-11-18(21(28)15-19)16-31-25(33)22-23(20-10-6-14-30-24(20)32(35)26(22)34)29-13-5-4-9-17-7-2-1-3-8-17/h1-3,6-8,10-12,14-15,29,35H,4-5,9,13,16H2,(H,31,33)
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n/an/a 280n/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)
BDBM50020308
PNG
(CHEMBL3288836)
Show SMILES CCOC(=O)[C@@H]1CCCN1c1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 |r|
Show InChI InChI=1S/C23H22F2N4O5/c1-2-34-23(32)17-6-4-10-28(17)19-15-5-3-9-26-20(15)29(33)22(31)18(19)21(30)27-12-13-7-8-14(24)11-16(13)25/h3,5,7-9,11,17,33H,2,4,6,10,12H2,1H3,(H,27,30)/t17-/m0/s1
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n/an/a 310n/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)
BDBM50020252
PNG
(CHEMBL3288813)
Show SMILES On1c2ncccc2c(Nc2ccc(cc2)-c2ccccc2)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C28H20F2N4O3/c29-20-11-8-19(23(30)15-20)16-32-27(35)24-25(22-7-4-14-31-26(22)34(37)28(24)36)33-21-12-9-18(10-13-21)17-5-2-1-3-6-17/h1-15,33,37H,16H2,(H,32,35)
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n/an/a 340n/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)
BDBM50020264
PNG
(CHEMBL3288821)
Show SMILES On1c2ncccc2c(NC2CCCCCC2)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C23H24F2N4O3/c24-15-10-9-14(18(25)12-15)13-27-22(30)19-20(28-16-6-3-1-2-4-7-16)17-8-5-11-26-21(17)29(32)23(19)31/h5,8-12,16,28,32H,1-4,6-7,13H2,(H,27,30)
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n/an/a 460n/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)
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 550n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
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 710n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
BDBM50020253
PNG
(CHEMBL3288814)
Show SMILES On1c2ncccc2c(Nc2ccc-3c(Cc4ccccc-34)c2)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C29H20F2N4O3/c30-19-8-7-17(24(31)14-19)15-33-28(36)25-26(23-6-3-11-32-27(23)35(38)29(25)37)34-20-9-10-22-18(13-20)12-16-4-1-2-5-21(16)22/h1-11,13-14,34,38H,12,15H2,(H,33,36)
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n/an/a 840n/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)
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 1.80E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
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 2.50E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
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 3.70E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
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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n/an/a 4.40E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
BDBM50020277
PNG
(CHEMBL3288826)
Show SMILES NCCNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
Show InChI InChI=1S/C18H17F2N5O3/c19-11-4-3-10(13(20)8-11)9-24-17(26)14-15(22-7-5-21)12-2-1-6-23-16(12)25(28)18(14)27/h1-4,6,8,22,28H,5,7,9,21H2,(H,24,26)
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n/an/a 4.50E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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 5.30E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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 5.80E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
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 5.80E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
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 6.90E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
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 7.40E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
BDBM50020265
PNG
(CHEMBL3288822)
Show SMILES On1c2ncccc2c(NCCc2ccccc2)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C24H20F2N4O3/c25-17-9-8-16(19(26)13-17)14-29-23(31)20-21(27-12-10-15-5-2-1-3-6-15)18-7-4-11-28-22(18)30(33)24(20)32/h1-9,11,13,27,33H,10,12,14H2,(H,29,31)
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n/an/a 8.00E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
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 8.20E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
BDBM50020266
PNG
(CHEMBL3288823)
Show SMILES On1c2ncccc2c(NCCCCc2ccccc2)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C26H24F2N4O3/c27-19-12-11-18(21(28)15-19)16-31-25(33)22-23(20-10-6-14-30-24(20)32(35)26(22)34)29-13-5-4-9-17-7-2-1-3-8-17/h1-3,6-8,10-12,14-15,29,35H,4-5,9,13,16H2,(H,31,33)
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n/an/a 1.20E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
BDBM50020264
PNG
(CHEMBL3288821)
Show SMILES On1c2ncccc2c(NC2CCCCCC2)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C23H24F2N4O3/c24-15-10-9-14(18(25)12-15)13-27-22(30)19-20(28-16-6-3-1-2-4-7-16)17-8-5-11-26-21(17)29(32)23(19)31/h5,8-12,16,28,32H,1-4,6-7,13H2,(H,27,30)
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n/an/a 1.30E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
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 1.35E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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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n/an/a 1.67E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
BDBM50020262
PNG
(CHEMBL3288819)
Show SMILES CN(C)c1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
Show InChI InChI=1S/C18H16F2N4O3/c1-23(2)15-12-4-3-7-21-16(12)24(27)18(26)14(15)17(25)22-9-10-5-6-11(19)8-13(10)20/h3-8,27H,9H2,1-2H3,(H,22,25)
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n/an/a 2.10E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
BDBM50020253
PNG
(CHEMBL3288814)
Show SMILES On1c2ncccc2c(Nc2ccc-3c(Cc4ccccc-34)c2)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C29H20F2N4O3/c30-19-8-7-17(24(31)14-19)15-33-28(36)25-26(23-6-3-11-32-27(23)35(38)29(25)37)34-20-9-10-22-18(13-20)12-16-4-1-2-5-21(16)22/h1-11,13-14,34,38H,12,15H2,(H,33,36)
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n/an/a 4.60E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
BDBM50020252
PNG
(CHEMBL3288813)
Show SMILES On1c2ncccc2c(Nc2ccc(cc2)-c2ccccc2)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C28H20F2N4O3/c29-20-11-8-19(23(30)15-20)16-32-27(35)24-25(22-7-4-14-31-26(22)34(37)28(24)36)33-21-12-9-18(10-13-21)17-5-2-1-3-6-17/h1-15,33,37H,16H2,(H,32,35)
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n/an/a 5.20E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
BDBM50020256
PNG
(CHEMBL3288815)
Show SMILES On1c2ncccc2c(Nc2ccc(cc2)-c2ccc(cc2)C#N)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C29H19F2N5O3/c30-21-10-7-20(24(31)14-21)16-34-28(37)25-26(23-2-1-13-33-27(23)36(39)29(25)38)35-22-11-8-19(9-12-22)18-5-3-17(15-32)4-6-18/h1-14,35,39H,16H2,(H,34,37)
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n/an/a 7.00E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
BDBM50020263
PNG
(CHEMBL3288820)
Show SMILES On1c2ncccc2c(N2CCOCC2)c(C(=O)NCc2ccc(F)cc2F)c1=O
Show InChI InChI=1S/C20H18F2N4O4/c21-13-4-3-12(15(22)10-13)11-24-19(27)16-17(25-6-8-30-9-7-25)14-2-1-5-23-18(14)26(29)20(16)28/h1-5,10,29H,6-9,11H2,(H,24,27)
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n/an/a 7.70E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
BDBM50020257
PNG
(CHEMBL3288816)
Show SMILES Nc1ccc(cc1)-c1ccc(Nc2c(C(=O)NCc3ccc(F)cc3F)c(=O)n(O)c3ncccc23)cc1
Show InChI InChI=1S/C28H21F2N5O3/c29-19-8-3-18(23(30)14-19)15-33-27(36)24-25(22-2-1-13-32-26(22)35(38)28(24)37)34-21-11-6-17(7-12-21)16-4-9-20(31)10-5-16/h1-14,34,38H,15,31H2,(H,33,36)
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n/an/a 8.00E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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)
BDBM50020308
PNG
(CHEMBL3288836)
Show SMILES CCOC(=O)[C@@H]1CCCN1c1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12 |r|
Show InChI InChI=1S/C23H22F2N4O5/c1-2-34-23(32)17-6-4-10-28(17)19-15-5-3-9-26-20(15)29(33)22(31)18(19)21(30)27-12-13-7-8-14(24)11-16(13)25/h3,5,7-9,11,17,33H,2,4,6,10,12H2,1H3,(H,27,30)/t17-/m0/s1
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n/an/a 8.60E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 3'-processing 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