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PubMed code 16002283

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50065796
PNG
((E)-2-(3,4-dihydroxystyryl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b5-1+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Unité Associée au CNRS

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HIV-1 recombinant integrase activity in strand transfer assay

Bioorg Med Chem Lett 15: 4019-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.036
BindingDB Entry DOI: 10.7270/Q2GM86VW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50065796
PNG
((E)-2-(3,4-dihydroxystyryl)-8-hydroxyquinoline-7-c...)
Show SMILES OC(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C18H13NO5/c20-14-8-2-10(9-15(14)21)1-5-12-6-3-11-4-7-13(18(23)24)17(22)16(11)19-12/h1-9,20-22H,(H,23,24)/b5-1+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Unité Associée au CNRS

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HIV-1 recombinant integrase activity in standard 3'-processing assay

Bioorg Med Chem Lett 15: 4019-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.036
BindingDB Entry DOI: 10.7270/Q2GM86VW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50170145
PNG
(CHEMBL189128 | {2-[(E)-2-(3,4-Dihydroxy-phenyl)-vi...)
Show SMILES Oc1ccc(\C=C\c2ccc3ccc(C(=O)c4ccccc4[N+]([O-])=O)c(O)c3n2)cc1O
Show InChI InChI=1S/C24H16N2O6/c27-20-12-6-14(13-21(20)28)5-9-16-10-7-15-8-11-18(24(30)22(15)25-16)23(29)17-3-1-2-4-19(17)26(31)32/h1-13,27-28,30H/b9-5+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 7.00E+4n/an/an/an/an/an/a



Unité Associée au CNRS

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HIV-1 recombinant integrase activity in strand transfer assay

Bioorg Med Chem Lett 15: 4019-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.036
BindingDB Entry DOI: 10.7270/Q2GM86VW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50170149
PNG
((3,4-Difluoro-phenyl)-{2-[(E)-2-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(\C=C\c2ccc3ccc(C(=O)c4ccc(F)c(F)c4)c(O)c3n2)cc1O
Show InChI InChI=1S/C24H15F2NO4/c25-18-9-5-15(12-19(18)26)23(30)17-8-4-14-3-7-16(27-22(14)24(17)31)6-1-13-2-10-20(28)21(29)11-13/h1-12,28-29,31H/b6-1+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Unité Associée au CNRS

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HIV-1 recombinant integrase activity in standard 3'-processing assay

Bioorg Med Chem Lett 15: 4019-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.036
BindingDB Entry DOI: 10.7270/Q2GM86VW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50170148
PNG
(CHEMBL188712 | {2-[(E)-2-(3,4-Dihydroxy-phenyl)-vi...)
Show SMILES Oc1ccc(cc1)C(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C24H17NO5/c26-18-9-4-16(5-10-18)23(29)19-11-6-15-3-8-17(25-22(15)24(19)30)7-1-14-2-12-20(27)21(28)13-14/h1-13,26-28,30H/b7-1+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Unité Associée au CNRS

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HIV-1 recombinant integrase activity in strand transfer assay

Bioorg Med Chem Lett 15: 4019-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.036
BindingDB Entry DOI: 10.7270/Q2GM86VW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50170146
PNG
(CHEMBL187452 | {2-[(E)-2-(3,4-Dihydroxy-phenyl)-vi...)
Show SMILES Oc1ccc(\C=C\c2ccc3ccc(C(=O)c4ccc(cc4)[N+]([O-])=O)c(O)c3n2)cc1O
Show InChI InChI=1S/C24H16N2O6/c27-20-12-2-14(13-21(20)28)1-7-17-8-3-15-6-11-19(24(30)22(15)25-17)23(29)16-4-9-18(10-5-16)26(31)32/h1-13,27-28,30H/b7-1+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Unité Associée au CNRS

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HIV-1 recombinant integrase activity in standard 3'-processing assay

Bioorg Med Chem Lett 15: 4019-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.036
BindingDB Entry DOI: 10.7270/Q2GM86VW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50170146
PNG
(CHEMBL187452 | {2-[(E)-2-(3,4-Dihydroxy-phenyl)-vi...)
Show SMILES Oc1ccc(\C=C\c2ccc3ccc(C(=O)c4ccc(cc4)[N+]([O-])=O)c(O)c3n2)cc1O
Show InChI InChI=1S/C24H16N2O6/c27-20-12-2-14(13-21(20)28)1-7-17-8-3-15-6-11-19(24(30)22(15)25-17)23(29)16-4-9-18(10-5-16)26(31)32/h1-13,27-28,30H/b7-1+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Unité Associée au CNRS

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HIV-1 recombinant integrase activity in strand transfer assay

Bioorg Med Chem Lett 15: 4019-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.036
BindingDB Entry DOI: 10.7270/Q2GM86VW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50170144
PNG
(CHEMBL188293 | {2-[(E)-2-(3,4-Dihydroxy-phenyl)-vi...)
Show SMILES Oc1ccc(\C=C\c2ccc3ccc(C(=O)c4cccnc4)c(O)c3n2)cc1O
Show InChI InChI=1S/C23H16N2O4/c26-19-10-4-14(12-20(19)27)3-7-17-8-5-15-6-9-18(23(29)21(15)25-17)22(28)16-2-1-11-24-13-16/h1-13,26-27,29H/b7-3+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Unité Associée au CNRS

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HIV-1 recombinant integrase activity in strand transfer assay

Bioorg Med Chem Lett 15: 4019-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.036
BindingDB Entry DOI: 10.7270/Q2GM86VW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50170145
PNG
(CHEMBL189128 | {2-[(E)-2-(3,4-Dihydroxy-phenyl)-vi...)
Show SMILES Oc1ccc(\C=C\c2ccc3ccc(C(=O)c4ccccc4[N+]([O-])=O)c(O)c3n2)cc1O
Show InChI InChI=1S/C24H16N2O6/c27-20-12-6-14(13-21(20)28)5-9-16-10-7-15-8-11-18(24(30)22(15)25-16)23(29)17-3-1-2-4-19(17)26(31)32/h1-13,27-28,30H/b9-5+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Unité Associée au CNRS

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HIV-1 recombinant integrase activity in standard 3'-processing assay

Bioorg Med Chem Lett 15: 4019-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.036
BindingDB Entry DOI: 10.7270/Q2GM86VW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50170149
PNG
((3,4-Difluoro-phenyl)-{2-[(E)-2-(3,4-dihydroxy-phe...)
Show SMILES Oc1ccc(\C=C\c2ccc3ccc(C(=O)c4ccc(F)c(F)c4)c(O)c3n2)cc1O
Show InChI InChI=1S/C24H15F2NO4/c25-18-9-5-15(12-19(18)26)23(30)17-8-4-14-3-7-16(27-22(14)24(17)31)6-1-13-2-10-20(28)21(29)11-13/h1-12,28-29,31H/b6-1+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Unité Associée au CNRS

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HIV-1 recombinant integrase activity in strand transfer assay

Bioorg Med Chem Lett 15: 4019-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.036
BindingDB Entry DOI: 10.7270/Q2GM86VW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50170148
PNG
(CHEMBL188712 | {2-[(E)-2-(3,4-Dihydroxy-phenyl)-vi...)
Show SMILES Oc1ccc(cc1)C(=O)c1ccc2ccc(\C=C\c3ccc(O)c(O)c3)nc2c1O
Show InChI InChI=1S/C24H17NO5/c26-18-9-4-16(5-10-18)23(29)19-11-6-15-3-8-17(25-22(15)24(19)30)7-1-14-2-12-20(27)21(28)13-14/h1-13,26-28,30H/b7-1+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Unité Associée au CNRS

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HIV-1 recombinant integrase activity in standard 3'-processing assay

Bioorg Med Chem Lett 15: 4019-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.036
BindingDB Entry DOI: 10.7270/Q2GM86VW
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50170144
PNG
(CHEMBL188293 | {2-[(E)-2-(3,4-Dihydroxy-phenyl)-vi...)
Show SMILES Oc1ccc(\C=C\c2ccc3ccc(C(=O)c4cccnc4)c(O)c3n2)cc1O
Show InChI InChI=1S/C23H16N2O4/c26-19-10-4-14(12-20(19)27)3-7-17-8-5-15-6-9-18(23(29)21(15)25-17)22(28)16-2-1-11-24-13-16/h1-13,26-27,29H/b7-3+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Unité Associée au CNRS

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against HIV-1 recombinant integrase activity in standard 3'-processing assay

Bioorg Med Chem Lett 15: 4019-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.036
BindingDB Entry DOI: 10.7270/Q2GM86VW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%