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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50037699   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrase


(Human immunodeficiency virus 1)
BDBM50184633
PNG
(6-(3,4-dichlorophenyl)-2-hydroxy-4-oxohex-2-enoic ...)
Show SMILES OC(=O)C(=O)CC(=O)CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C12H10Cl2O4/c13-9-4-2-7(5-10(9)14)1-3-8(15)6-11(16)12(17)18/h2,4-5H,1,3,6H2,(H,17,18)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM23399
PNG
(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM107693
PNG
((2Z)-4-(5-chloro-1H-indol-3-yl)-2-hydroxy-4-oxobut...)
Show SMILES OC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C12H8ClNO4/c13-6-1-2-9-7(3-6)8(5-14-9)10(15)4-11(16)12(17)18/h1-3,5,14H,4H2,(H,17,18)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184626
PNG
(6-(2-chlorophenyl)-2,4,6-trioxohexanoic acid | CHE...)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1ccccc1Cl
Show InChI InChI=1S/C12H9ClO5/c13-9-4-2-1-3-8(9)10(15)5-7(14)6-11(16)12(17)18/h1-4H,5-6H2,(H,17,18)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM23399
PNG
(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM107693
PNG
((2Z)-4-(5-chloro-1H-indol-3-yl)-2-hydroxy-4-oxobut...)
Show SMILES OC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C12H8ClNO4/c13-6-1-2-9-7(3-6)8(5-14-9)10(15)4-11(16)12(17)18/h1-3,5,14H,4H2,(H,17,18)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184626
PNG
(6-(2-chlorophenyl)-2,4,6-trioxohexanoic acid | CHE...)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1ccccc1Cl
Show InChI InChI=1S/C12H9ClO5/c13-9-4-2-1-3-8(9)10(15)5-7(14)6-11(16)12(17)18/h1-4H,5-6H2,(H,17,18)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase in pre-integration complex


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184632
PNG
(6-(naphthalen-1-yl)-2,4,6-trioxohexanoic acid | CH...)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C16H12O5/c17-11(9-15(19)16(20)21)8-14(18)13-7-3-5-10-4-1-2-6-12(10)13/h1-7H,8-9H2,(H,20,21)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184626
PNG
(6-(2-chlorophenyl)-2,4,6-trioxohexanoic acid | CHE...)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1ccccc1Cl
Show InChI InChI=1S/C12H9ClO5/c13-9-4-2-1-3-8(9)10(15)5-7(14)6-11(16)12(17)18/h1-4H,5-6H2,(H,17,18)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

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



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184630
PNG
(6-biphenyl-4-yl-2,4,6-trioxo-hexanoic acid | CHEMB...)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H14O5/c19-15(11-17(21)18(22)23)10-16(20)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,23)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

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



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184635
PNG
(6-(2-fluorophenyl)-2,4,6-trioxohexanoic acid | CHE...)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1ccccc1F
Show InChI InChI=1S/C12H9FO5/c13-9-4-2-1-3-8(9)10(15)5-7(14)6-11(16)12(17)18/h1-4H,5-6H2,(H,17,18)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184624
PNG
(6-(2-methoxyphenyl)-2,4,6-trioxohexanoic acid | CH...)
Show SMILES COc1ccccc1C(=O)CC(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C13H12O6/c1-19-12-5-3-2-4-9(12)10(15)6-8(14)7-11(16)13(17)18/h2-5H,6-7H2,1H3,(H,17,18)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184625
PNG
(6-(2-bromophenyl)-2-hydroxy-4-oxohex-2-enoic acid ...)
Show SMILES OC(=O)C(=O)CC(=O)CCc1ccccc1Br
Show InChI InChI=1S/C12H11BrO4/c13-10-4-2-1-3-8(10)5-6-9(14)7-11(15)12(16)17/h1-4H,5-7H2,(H,16,17)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184623
PNG
(2,4,6-trioxo-6-(2-(trifluoromethyl)phenyl)hexanoic...)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C13H9F3O5/c14-13(15,16)9-4-2-1-3-8(9)10(18)5-7(17)6-11(19)12(20)21/h1-4H,5-6H2,(H,20,21)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184638
PNG
(6-(naphthalen-2-yl)-2,4,6-trioxohexanoic acid | CH...)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H12O5/c17-13(9-15(19)16(20)21)8-14(18)12-6-5-10-3-1-2-4-11(10)7-12/h1-7H,8-9H2,(H,20,21)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184631
PNG
(6-(2-(benzyloxy)phenyl)-2,4,6-trioxohexanoic acid ...)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C19H16O6/c20-14(11-17(22)19(23)24)10-16(21)15-8-4-5-9-18(15)25-12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,23,24)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184637
PNG
(6-(3-chlorophenyl)-2,4,6-trioxohexanoic acid | CHE...)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H9ClO5/c13-8-3-1-2-7(4-8)10(15)5-9(14)6-11(16)12(17)18/h1-4H,5-6H2,(H,17,18)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184622
PNG
(6-(2-chlorophenyl)-2-hydroxy-4-oxohex-2-enoic acid...)
Show SMILES OC(=O)C(=O)CC(=O)CCc1ccccc1Cl
Show InChI InChI=1S/C12H11ClO4/c13-10-4-2-1-3-8(10)5-6-9(14)7-11(15)12(16)17/h1-4H,5-7H2,(H,16,17)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184622
PNG
(6-(2-chlorophenyl)-2-hydroxy-4-oxohex-2-enoic acid...)
Show SMILES OC(=O)C(=O)CC(=O)CCc1ccccc1Cl
Show InChI InChI=1S/C12H11ClO4/c13-10-4-2-1-3-8(10)5-6-9(14)7-11(15)12(16)17/h1-4H,5-7H2,(H,16,17)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184628
PNG
(2-hydroxy-4-oxo-6-phenylhex-2-enoic acid | CHEMBL2...)
Show SMILES OC(=O)C(=O)CC(=O)CCc1ccccc1
Show InChI InChI=1S/C12H12O4/c13-10(8-11(14)12(15)16)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,15,16)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184634
PNG
(2,4,6-trioxo-6-phenylhexanoic acid | CHEMBL448424)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C12H10O5/c13-9(7-11(15)12(16)17)6-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,16,17)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184636
PNG
(2,4,6-trioxo-6-(pyridin-2-yl)hexanoic acid | CHEMB...)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1ccccn1
Show InChI InChI=1S/C11H9NO5/c13-7(6-10(15)11(16)17)5-9(14)8-3-1-2-4-12-8/h1-4H,5-6H2,(H,16,17)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184639
PNG
(1-(1-(4-fluorobenzyl)-1H-pyrrol-2-yl)-3-(1H-tetraz...)
Show SMILES Fc1ccc(Cn2cccc2C(=O)CC(=O)c2nnn[nH]2)cc1
Show InChI InChI=1S/C15H12FN5O2/c16-11-5-3-10(4-6-11)9-21-7-1-2-12(21)13(22)8-14(23)15-17-19-20-18-15/h1-7H,8-9H2,(H,17,18,19,20)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
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PC sid
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n/an/a>1.25E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184627
PNG
(1-(2-chlorophenyl)-5-(1H-tetrazol-5-yl)pentane-1,3...)
Show SMILES Clc1ccccc1C(=O)CC(=O)CC(=O)c1nnn[nH]1
Show InChI InChI=1S/C12H9ClN4O3/c13-9-4-2-1-3-8(9)10(19)5-7(18)6-11(20)12-14-16-17-15-12/h1-4H,5-6H2,(H,14,15,16,17)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.25E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50184621
PNG
(2,4,6-trioxo-6-(pyridin-3-yl)hexanoic acid | CHEMB...)
Show SMILES OC(=O)C(=O)CC(=O)CC(=O)c1cccnc1
Show InChI InChI=1S/C11H9NO5/c13-8(5-10(15)11(16)17)4-9(14)7-2-1-3-12-6-7/h1-3,6H,4-5H2,(H,16,17)
PDB
MMDB

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


Bioorg Med Chem Lett 16: 2920-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.010
BindingDB Entry DOI: 10.7270/Q2BV7HDK
More data for this
Ligand-Target Pair