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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM107693'   
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)
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

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

Similars

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



Bristol-Myers Squibb

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

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

Similars

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



Bristol-Myers Squibb

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

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

Similars

Article
PubMed
n/an/a 520n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
Strand transfer inhibitory activity against HIV-1 integrase


J Med Chem 48: 7084-8 (2005)


Article DOI: 10.1021/jm050549e
BindingDB Entry DOI: 10.7270/Q27W6BR1
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

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

Similars

PubMed
n/an/a 520n/an/an/an/an/an/a



National Cancer Institute/NIH

Curated by ChEMBL


Assay Description
Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay


J Med Chem 45: 3184-94 (2002)


BindingDB Entry DOI: 10.7270/Q26D5TPD
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

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

Similars

PubMed
n/an/a 6.50E+4n/an/an/an/an/an/a



National Cancer Institute/NIH

Curated by ChEMBL


Assay Description
Inhibitory effect on 3'-processing(3'-P) of proviral DNA in an extracellular HIV-1 integrase assay


J Med Chem 45: 3184-94 (2002)


BindingDB Entry DOI: 10.7270/Q26D5TPD
More data for this
Ligand-Target Pair