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Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with all data for entry = 50006926   
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)
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
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
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
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
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
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
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
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
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)
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
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
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)
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
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
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)
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+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
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)
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
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 2.90E+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)
BDBM50055713
PNG
(3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(2-naphthyl)m...)
Show SMILES Oc1ccc2c(O)c(C(c3ccc4ccccc4c3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1
Show InChI InChI=1S/C29H18O8/c30-17-7-9-19-21(12-17)36-28(34)24(26(19)32)23(16-6-5-14-3-1-2-4-15(14)11-16)25-27(33)20-10-8-18(31)13-22(20)37-29(25)35/h1-13,23,30-33H
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 3.55E+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)
BDBM50055716
PNG
(4-hydroxy-3-(4-hydroxy-2-oxo-2H-3-chromenyl{4-[2-p...)
Show SMILES Oc1c(C(c2ccc(\C=C\c3ccccc3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C33H22O6/c34-30-23-10-4-6-12-25(23)38-32(36)28(30)27(29-31(35)24-11-5-7-13-26(24)39-33(29)37)22-18-16-21(17-19-22)15-14-20-8-2-1-3-9-20/h1-19,27,34-35H/b15-14+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 3.70E+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)
BDBM50055713
PNG
(3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(2-naphthyl)m...)
Show SMILES Oc1ccc2c(O)c(C(c3ccc4ccccc4c3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1
Show InChI InChI=1S/C29H18O8/c30-17-7-9-19-21(12-17)36-28(34)24(26(19)32)23(16-6-5-14-3-1-2-4-15(14)11-16)25-27(33)20-10-8-18(31)13-22(20)37-29(25)35/h1-13,23,30-33H
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 4.20E+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)
BDBM50055716
PNG
(4-hydroxy-3-(4-hydroxy-2-oxo-2H-3-chromenyl{4-[2-p...)
Show SMILES Oc1c(C(c2ccc(\C=C\c3ccccc3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C33H22O6/c34-30-23-10-4-6-12-25(23)38-32(36)28(30)27(29-31(35)24-11-5-7-13-26(24)39-33(29)37)22-18-16-21(17-19-22)15-14-20-8-2-1-3-9-20/h1-19,27,34-35H/b15-14+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 5.50E+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)
BDBM50055707
PNG
(3,3'-(Ferrocenomethylene)bis[4-hydroxycoumarin] | ...)
Show SMILES [Fe]123456789C%10C1C2C3C4%10.Oc1ccc2c(O)c(C(c3c(O)c4ccc(O)cc4oc3=O)C53C6C7C8C93)c(=O)oc2c1
Show InChI InChI=1S/C24H15O8.C5H5.Fe/c25-12-5-7-14-16(9-12)31-23(29)19(21(14)27)18(11-3-1-2-4-11)20-22(28)15-8-6-13(26)10-17(15)32-24(20)30;1-2-4-5-3-1;/h1-10,18,25-28H;1-5H;
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.00E+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)
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+
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 7.00E+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)
BDBM50055688
PNG
(3-[3,5-di(benzyloxy)phenyl(4-hydroxy-2-oxo-2H-3-ch...)
Show SMILES Oc1c(C(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C39H28O8/c40-36-29-15-7-9-17-31(29)46-38(42)34(36)33(35-37(41)30-16-8-10-18-32(30)47-39(35)43)26-19-27(44-22-24-11-3-1-4-12-24)21-28(20-26)45-23-25-13-5-2-6-14-25/h1-21,33,40-41H,22-23H2
PDB
MMDB

UniProtKB/TrEMBL

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

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Article
PubMed
n/an/a 8.00E+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)
BDBM50055709
PNG
(3-[9H-2-fluorenyl(4-hydroxy-2-oxo-2H-3-chromenyl)m...)
Show SMILES Oc1c(C(c2ccc-3c(Cc4ccccc-34)c2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C32H20O6/c33-29-22-9-3-5-11-24(22)37-31(35)27(29)26(28-30(34)23-10-4-6-12-25(23)38-32(28)36)18-13-14-21-19(16-18)15-17-7-1-2-8-20(17)21/h1-14,16,26,33-34H,15H2
PDB
MMDB

UniProtKB/TrEMBL

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

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Article
PubMed
n/an/a 9.50E+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)
BDBM50055707
PNG
(3,3'-(Ferrocenomethylene)bis[4-hydroxycoumarin] | ...)
Show SMILES [Fe]123456789C%10C1C2C3C4%10.Oc1ccc2c(O)c(C(c3c(O)c4ccc(O)cc4oc3=O)C53C6C7C8C93)c(=O)oc2c1
Show InChI InChI=1S/C24H15O8.C5H5.Fe/c25-12-5-7-14-16(9-12)31-23(29)19(21(14)27)18(11-3-1-2-4-11)20-22(28)15-8-6-13(26)10-17(15)32-24(20)30;1-2-4-5-3-1;/h1-10,18,25-28H;1-5H;
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/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)
BDBM50055709
PNG
(3-[9H-2-fluorenyl(4-hydroxy-2-oxo-2H-3-chromenyl)m...)
Show SMILES Oc1c(C(c2ccc-3c(Cc4ccccc-34)c2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C32H20O6/c33-29-22-9-3-5-11-24(22)37-31(35)27(29)26(28-30(34)23-10-4-6-12-25(23)38-32(28)36)18-13-14-21-19(16-18)15-17-7-1-2-8-20(17)21/h1-14,16,26,33-34H,15H2
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 1.10E+4n/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)
BDBM50055701
PNG
(4-hydroxy-3-[3-(4-hydroxy-2-oxo-2H-3-chromenylmeth...)
Show SMILES Oc1c(Cc2cccc(Cc3c(O)c4ccccc4oc3=O)c2)c(=O)oc2ccccc12
Show InChI InChI=1S/C26H18O6/c27-23-17-8-1-3-10-21(17)31-25(29)19(23)13-15-6-5-7-16(12-15)14-20-24(28)18-9-2-4-11-22(18)32-26(20)30/h1-12,27-28H,13-14H2
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 1.11E+4n/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)
BDBM50055688
PNG
(3-[3,5-di(benzyloxy)phenyl(4-hydroxy-2-oxo-2H-3-ch...)
Show SMILES Oc1c(C(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C39H28O8/c40-36-29-15-7-9-17-31(29)46-38(42)34(36)33(35-37(41)30-16-8-10-18-32(30)47-39(35)43)26-19-27(44-22-24-11-3-1-4-12-24)21-28(20-26)45-23-25-13-5-2-6-14-25/h1-21,33,40-41H,22-23H2
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n/an/a 1.20E+4n/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)
BDBM50055690
PNG
(4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(4-nitr...)
Show SMILES Oc1c(C(c2ccc(cc2)[N+]([O-])=O)c2c([O-])c3ccccc3oc2=[OH+])c(=O)oc2ccccc12
Show InChI InChI=1S/C25H15NO8/c27-22-15-5-1-3-7-17(15)33-24(29)20(22)19(13-9-11-14(12-10-13)26(31)32)21-23(28)16-6-2-4-8-18(16)34-25(21)30/h1-12,19,27-28H
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n/an/a 1.20E+4n/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)
BDBM50055692
PNG
(4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(4-phen...)
Show SMILES Oc1c(C(c2ccc(cc2)-c2ccccc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C31H20O6/c32-28-21-10-4-6-12-23(21)36-30(34)26(28)25(20-16-14-19(15-17-20)18-8-2-1-3-9-18)27-29(33)22-11-5-7-13-24(22)37-31(27)35/h1-17,25,32-33H
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n/an/a 1.30E+4n/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)
BDBM50055696
PNG
(3-[4-benzyloxyphenyl(4-hydroxy-2-oxo-2H-3-chromeny...)
Show SMILES Oc1c(C(c2ccc(OCc3ccccc3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C32H22O7/c33-29-22-10-4-6-12-24(22)38-31(35)27(29)26(28-30(34)23-11-5-7-13-25(23)39-32(28)36)20-14-16-21(17-15-20)37-18-19-8-2-1-3-9-19/h1-17,26,33-34H,18H2
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n/an/a 1.40E+4n/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)
BDBM50055692
PNG
(4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(4-phen...)
Show SMILES Oc1c(C(c2ccc(cc2)-c2ccccc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C31H20O6/c32-28-21-10-4-6-12-23(21)36-30(34)26(28)25(20-16-14-19(15-17-20)18-8-2-1-3-9-18)27-29(33)22-11-5-7-13-24(22)37-31(27)35/h1-17,25,32-33H
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n/an/a 1.40E+4n/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)
BDBM50055694
PNG
(4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(2-naph...)
Show SMILES Oc1c(C(c2ccc3ccccc3c2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C29H18O6/c30-26-19-9-3-5-11-21(19)34-28(32)24(26)23(18-14-13-16-7-1-2-8-17(16)15-18)25-27(31)20-10-4-6-12-22(20)35-29(25)33/h1-15,23,30-31H
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n/an/a 1.60E+4n/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)
BDBM50055705
PNG
(3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(phenyl)methy...)
Show SMILES Oc1ccc2c(O)c(C(c3ccccc3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1
Show InChI InChI=1S/C25H16O8/c26-13-6-8-15-17(10-13)32-24(30)20(22(15)28)19(12-4-2-1-3-5-12)21-23(29)16-9-7-14(27)11-18(16)33-25(21)31/h1-11,19,26-29H
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n/an/a 1.72E+4n/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)
BDBM50055696
PNG
(3-[4-benzyloxyphenyl(4-hydroxy-2-oxo-2H-3-chromeny...)
Show SMILES Oc1c(C(c2ccc(OCc3ccccc3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C32H22O7/c33-29-22-10-4-6-12-24(22)38-31(35)27(29)26(28-30(34)23-11-5-7-13-25(23)39-32(28)36)20-14-16-21(17-15-20)37-18-19-8-2-1-3-9-19/h1-17,26,33-34H,18H2
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n/an/a 1.90E+4n/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)
BDBM50055694
PNG
(4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(2-naph...)
Show SMILES Oc1c(C(c2ccc3ccccc3c2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C29H18O6/c30-26-19-9-3-5-11-21(19)34-28(32)24(26)23(18-14-13-16-7-1-2-8-17(16)15-18)25-27(31)20-10-4-6-12-22(20)35-29(25)33/h1-15,23,30-31H
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n/an/a 2.00E+4n/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)
BDBM50055702
PNG
(4-hydroxy-3-[2-(4-hydroxy-2-oxo-2H-3-chromenylmeth...)
Show SMILES Oc1c(Cc2ccccc2Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C26H18O6/c27-23-17-9-3-5-11-21(17)31-25(29)19(23)13-15-7-1-2-8-16(15)14-20-24(28)18-10-4-6-12-22(18)32-26(20)30/h1-12,27-28H,13-14H2
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n/an/a 2.05E+4n/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)
BDBM50055705
PNG
(3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(phenyl)methy...)
Show SMILES Oc1ccc2c(O)c(C(c3ccccc3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1
Show InChI InChI=1S/C25H16O8/c26-13-6-8-15-17(10-13)32-24(30)20(22(15)28)19(12-4-2-1-3-5-12)21-23(29)16-9-7-14(27)11-18(16)33-25(21)31/h1-11,19,26-29H
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n/an/a 2.22E+4n/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)
BDBM50055686
PNG
(7-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-7H-pyrano[3,2-...)
Show SMILES Oc1c(C2c3c(Oc4c2c(=O)oc2ccccc42)c2ccccc2oc3=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C28H14O8/c29-23-13-7-1-4-10-16(13)33-26(30)20(23)19-21-24(14-8-2-5-11-17(14)34-27(21)31)36-25-15-9-3-6-12-18(15)35-28(32)22(19)25/h1-12,19,29H
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n/an/a 2.25E+4n/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)
BDBM50055706
PNG
(4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(3-quin...)
Show SMILES Oc1c(C(c2cnc3ccccc3c2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C28H17NO6/c30-25-17-8-2-5-11-20(17)34-27(32)23(25)22(16-13-15-7-1-4-10-19(15)29-14-16)24-26(31)18-9-3-6-12-21(18)35-28(24)33/h1-14,22,30-31H
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n/an/a 2.30E+4n/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)
BDBM50055712
PNG
(3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(3-pyridyl)me...)
Show SMILES Oc1ccc2c(O)c(C(c3cccnc3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1
Show InChI InChI=1S/C24H15NO8/c26-12-3-5-14-16(8-12)32-23(30)19(21(14)28)18(11-2-1-7-25-10-11)20-22(29)15-6-4-13(27)9-17(15)33-24(20)31/h1-10,18,26-29H
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n/an/a 2.50E+4n/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)
BDBM50055706
PNG
(4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(3-quin...)
Show SMILES Oc1c(C(c2cnc3ccccc3c2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C28H17NO6/c30-25-17-8-2-5-11-20(17)34-27(32)23(25)22(16-13-15-7-1-4-10-19(15)29-14-16)24-26(31)18-9-3-6-12-21(18)35-28(24)33/h1-14,22,30-31H
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n/an/a 2.90E+4n/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)
BDBM50055701
PNG
(4-hydroxy-3-[3-(4-hydroxy-2-oxo-2H-3-chromenylmeth...)
Show SMILES Oc1c(Cc2cccc(Cc3c(O)c4ccccc4oc3=O)c2)c(=O)oc2ccccc12
Show InChI InChI=1S/C26H18O6/c27-23-17-8-1-3-10-21(17)31-25(29)19(23)13-15-6-5-7-16(12-15)14-20-24(28)18-9-2-4-11-22(18)32-26(20)30/h1-12,27-28H,13-14H2
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n/an/a 3.40E+4n/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)
BDBM50055703
PNG
(3-[2-furyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-...)
Show SMILES Oc1c(C(c2ccco2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C23H14O7/c24-20-12-6-1-3-8-14(12)29-22(26)18(20)17(16-10-5-11-28-16)19-21(25)13-7-2-4-9-15(13)30-23(19)27/h1-11,17,24-25H
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n/an/a 3.40E+4n/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)
BDBM50055686
PNG
(7-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-7H-pyrano[3,2-...)
Show SMILES Oc1c(C2c3c(Oc4c2c(=O)oc2ccccc42)c2ccccc2oc3=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C28H14O8/c29-23-13-7-1-4-10-16(13)33-26(30)20(23)19-21-24(14-8-2-5-11-17(14)34-27(21)31)36-25-15-9-3-6-12-18(15)35-28(32)22(19)25/h1-12,19,29H
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n/an/a 3.57E+4n/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)
BDBM50055704
PNG
(4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(phenyl...)
Show SMILES Oc1c(C(c2ccccc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C25H16O6/c26-22-15-10-4-6-12-17(15)30-24(28)20(22)19(14-8-2-1-3-9-14)21-23(27)16-11-5-7-13-18(16)31-25(21)29/h1-13,19,26-27H
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n/an/a 3.88E+4n/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)
BDBM50055704
PNG
(4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(phenyl...)
Show SMILES Oc1c(C(c2ccccc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C25H16O6/c26-22-15-10-4-6-12-17(15)30-24(28)20(22)19(14-8-2-1-3-9-14)21-23(27)16-11-5-7-13-18(16)31-25(21)29/h1-13,19,26-27H
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n/an/a 4.30E+4n/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)
BDBM50055714
PNG
(3-(4,7-dihydroxy-2-oxo-2H-3-chromenylmethyl)-4,7-d...)
Show SMILES Oc1ccc2c(O)c(Cc3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1
Show InChI InChI=1S/C19H12O8/c20-8-1-3-10-14(5-8)26-18(24)12(16(10)22)7-13-17(23)11-4-2-9(21)6-15(11)27-19(13)25/h1-6,20-23H,7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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UniChem

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Article
PubMed
n/an/a 4.49E+4n/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)
BDBM50055702
PNG
(4-hydroxy-3-[2-(4-hydroxy-2-oxo-2H-3-chromenylmeth...)
Show SMILES Oc1c(Cc2ccccc2Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Show InChI InChI=1S/C26H18O6/c27-23-17-9-3-5-11-21(17)31-25(29)19(23)13-15-7-1-2-8-16(15)14-20-24(28)18-10-4-6-12-22(18)32-26(20)30/h1-12,27-28H,13-14H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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UniChem

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Article
PubMed
n/an/a 4.50E+4n/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)
BDBM50055714
PNG
(3-(4,7-dihydroxy-2-oxo-2H-3-chromenylmethyl)-4,7-d...)
Show SMILES Oc1ccc2c(O)c(Cc3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1
Show InChI InChI=1S/C19H12O8/c20-8-1-3-10-14(5-8)26-18(24)12(16(10)22)7-13-17(23)11-4-2-9(21)6-15(11)27-19(13)25/h1-6,20-23H,7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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UniChem

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Article
PubMed
n/an/a 4.63E+4n/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)
BDBM50055687
PNG
(3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(2-pyridyl)me...)
Show SMILES Oc1ccc2c(O)c(C(c3ccccn3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1
Show InChI InChI=1S/C24H15NO8/c26-11-4-6-13-16(9-11)32-23(30)19(21(13)28)18(15-3-1-2-8-25-15)20-22(29)14-7-5-12(27)10-17(14)33-24(20)31/h1-10,18,26-29H
PDB
MMDB

UniProtKB/TrEMBL

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Article
PubMed
n/an/a 4.90E+4n/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)
BDBM50055695
PNG
(3-[4-dimethylaminophenyl(4-hydroxy-2-oxo-2H-3-chro...)
Show SMILES CN(C)c1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C27H21NO6/c1-28(2)16-13-11-15(12-14-16)21(22-24(29)17-7-3-5-9-19(17)33-26(22)31)23-25(30)18-8-4-6-10-20(18)34-27(23)32/h3-14,21,29-30H,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
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UniChem

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Article
PubMed
n/an/a 5.00E+4n/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)
BDBM50055690
PNG
(4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(4-nitr...)
Show SMILES Oc1c(C(c2ccc(cc2)[N+]([O-])=O)c2c([O-])c3ccccc3oc2=[OH+])c(=O)oc2ccccc12
Show InChI InChI=1S/C25H15NO8/c27-22-15-5-1-3-7-17(15)33-24(29)20(22)19(13-9-11-14(12-10-13)26(31)32)21-23(28)16-6-2-4-8-18(16)34-25(21)30/h1-12,19,27-28H
PDB
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CHEMBL
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Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against 3'-processing of DNA byHIV-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)
BDBM50055699
PNG
(4-[Bis-(4-hydroxy-2-oxo-2H-chromen-3-yl)-methyl]-b...)
Show SMILES OC(=O)c1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C26H16O8/c27-22-15-5-1-3-7-17(15)33-25(31)20(22)19(13-9-11-14(12-10-13)24(29)30)21-23(28)16-6-2-4-8-18(16)34-26(21)32/h1-12,19,27-28H,(H,29,30)
PDB
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PubMed
n/an/a 5.40E+4n/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)
BDBM50055690
PNG
(4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(4-nitr...)
Show SMILES Oc1c(C(c2ccc(cc2)[N+]([O-])=O)c2c([O-])c3ccccc3oc2=[OH+])c(=O)oc2ccccc12
Show InChI InChI=1S/C25H15NO8/c27-22-15-5-1-3-7-17(15)33-24(29)20(22)19(13-9-11-14(12-10-13)26(31)32)21-23(28)16-6-2-4-8-18(16)34-25(21)30/h1-12,19,27-28H
PDB
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PubMed
n/an/a 5.80E+4n/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)
BDBM50055712
PNG
(3-[4,7-dihydroxy-2-oxo-2H-3-chromenyl(3-pyridyl)me...)
Show SMILES Oc1ccc2c(O)c(C(c3cccnc3)c3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1
Show InChI InChI=1S/C24H15NO8/c26-12-3-5-14-16(8-12)32-23(30)19(21(14)28)18(11-2-1-7-25-10-11)20-22(29)15-6-4-13(27)9-17(15)33-24(20)31/h1-10,18,26-29H
PDB
MMDB

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Article
PubMed
n/an/a 6.20E+4n/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)
BDBM50055699
PNG
(4-[Bis-(4-hydroxy-2-oxo-2H-chromen-3-yl)-methyl]-b...)
Show SMILES OC(=O)c1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C26H16O8/c27-22-15-5-1-3-7-17(15)33-25(31)20(22)19(13-9-11-14(12-10-13)24(29)30)21-23(28)16-6-2-4-8-18(16)34-26(21)32/h1-12,19,27-28H,(H,29,30)
PDB
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PubMed
n/an/a 6.60E+4n/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)
BDBM50055697
PNG
(4-hydroxy-3-[4-(4-hydroxy-2-oxo-2H-3-chromenylmeth...)
Show SMILES Oc1c(Cc2ccc(Cc3c(O)c4ccccc4oc3=O)cc2)c(=O)oc2ccccc12
Show InChI InChI=1S/C26H18O6/c27-23-17-5-1-3-7-21(17)31-25(29)19(23)13-15-9-11-16(12-10-15)14-20-24(28)18-6-2-4-8-22(18)32-26(20)30/h1-12,27-28H,13-14H2
PDB
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PubMed
n/an/a 6.92E+4n/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)
BDBM50055693
PNG
(4-hydroxy-3-[4-hydroxy-2-oxo-2H-3-chromenyl(4-hydr...)
Show SMILES Oc1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C25H16O7/c26-14-11-9-13(10-12-14)19(20-22(27)15-5-1-3-7-17(15)31-24(20)29)21-23(28)16-6-2-4-8-18(16)32-25(21)30/h1-12,19,26-28H
PDB
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PubMed
n/an/a 7.40E+4n/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
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