BindingDB logo
myBDB logout

PubMed code 7699704

Compile data set for download or QSAR
Found 30 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
Integrase


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

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 100n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


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

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 800n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50033767
PNG
(3,3',4',5',7-pentahydroxy flavone | 3,7,3',4',5'-P...)
Show SMILES Oc1ccc2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50033767
PNG
(3,3',4',5',7-pentahydroxy flavone | 3,7,3',4',5'-P...)
Show SMILES Oc1ccc2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50369073
PNG
(CHEMBL1159644)
Show SMILES C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1Oc1c(O)c2c(cc(O)cc2=O)oc1-c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C21H20O12/c1-6-18(16(28)17(29)21(30)31-6)33-20-15(27)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)14(26)11(25)3-7/h2-6,16-18,21-22,24-30H,1H3/t6-,16-,17+,18-,21+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 1.03E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 1.36E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50407724
PNG
(CHEMBL2029094)
Show SMILES O[C@@H]1O[C@@H](Oc2c(O)cc(O)c3c2oc(-c2ccc(O)c(O)c2)c(O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H18O13/c21-6-2-1-5(3-7(6)22)16-13(27)11(25)10-8(23)4-9(24)17(18(10)31-16)32-20-15(29)12(26)14(28)19(30)33-20/h1-4,12,14-15,19-24,26-30H/t12-,14-,15+,19+,20+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 2.25E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 2.36E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50033768
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(4,5,6-tr...)
Show SMILES OC1OCC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
Show InChI InChI=1S/C20H18O11/c21-8-4-11(24)14-12(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)26)31-13-6-29-20(28)17(27)15(13)25/h1-5,13,15,17,20-23,25-28H,6H2
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 2.51E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM7457
PNG
(2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,16-18,20H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 2.84E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM23410
PNG
(2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 2.87E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 3.17E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 3.29E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50025974
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(4,5,6-tr...)
Show SMILES CC1OC(O)C(O)C(O)C1Oc1c(O)c2c(cc(O)cc2=O)oc1-c1ccc(O)c(O)c1
Show InChI InChI=1S/C21H20O11/c1-7-18(16(27)17(28)21(29)30-7)32-20-15(26)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,16-18,21-24,26-29H,1H3
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 3.85E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM23412
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H...)
Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 3.91E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50369073
PNG
(CHEMBL1159644)
Show SMILES C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1Oc1c(O)c2c(cc(O)cc2=O)oc1-c1cc(O)c(O)c(O)c1 |r|
Show InChI InChI=1S/C21H20O12/c1-6-18(16(28)17(29)21(30)31-6)33-20-15(27)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)14(26)11(25)3-7/h2-6,16-18,21-22,24-30H,1H3/t6-,16-,17+,18-,21+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 3.96E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50025974
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(4,5,6-tr...)
Show SMILES CC1OC(O)C(O)C(O)C1Oc1c(O)c2c(cc(O)cc2=O)oc1-c1ccc(O)c(O)c1
Show InChI InChI=1S/C21H20O11/c1-7-18(16(27)17(28)21(29)30-7)32-20-15(26)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,16-18,21-24,26-29H,1H3
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM23410
PNG
(2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H...)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 6.16E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 6.47E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50033768
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(4,5,6-tr...)
Show SMILES OC1OCC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O
Show InChI InChI=1S/C20H18O11/c21-8-4-11(24)14-12(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)26)31-13-6-29-20(28)17(27)15(13)25/h1-5,13,15,17,20-23,25-28H,6H2
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 6.63E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50407724
PNG
(CHEMBL2029094)
Show SMILES O[C@@H]1O[C@@H](Oc2c(O)cc(O)c3c2oc(-c2ccc(O)c(O)c2)c(O)c3=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H18O13/c21-6-2-1-5(3-7(6)22)16-13(27)11(25)10-8(23)4-9(24)17(18(10)31-16)32-20-15(29)12(26)14(28)19(30)33-20/h1-4,12,14-15,19-24,26-30H/t12-,14-,15+,19+,20+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
PubMed
n/an/a 6.97E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 7.65E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM23412
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H...)
Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 9.43E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 9.78E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage

J Med Chem 38: 890-7 (1995)


BindingDB Entry DOI: 10.7270/Q2959J6V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%