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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Integrase' and Ligand = 'BDBM50483489'   
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)
BDBM50483489
PNG
(CHEMBL1685078)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(Cl)c2)c1O
Show InChI InChI=1S/C16H10BrClO4/c17-10-7-12(15(20)13(8-10)16(21)22)14(19)5-4-9-2-1-3-11(18)6-9/h1-8,20H,(H,21,22)/b5-4+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483489
PNG
(CHEMBL1685078)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(Cl)c2)c1O
Show InChI InChI=1S/C16H10BrClO4/c17-10-7-12(15(20)13(8-10)16(21)22)14(19)5-4-9-2-1-3-11(18)6-9/h1-8,20H,(H,21,22)/b5-4+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.12E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase strand transfer activity after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50483489
PNG
(CHEMBL1685078)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(Cl)c2)c1O
Show InChI InChI=1S/C16H10BrClO4/c17-10-7-12(15(20)13(8-10)16(21)22)14(19)5-4-9-2-1-3-11(18)6-9/h1-8,20H,(H,21,22)/b5-4+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.50E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of Human immunodeficiency virus 1 integrase-mediated 3'-processing after 30 mins by polyacrylamide gel electrophoresis


Bioorg Med Chem 19: 2030-45 (2011)


Article DOI: 10.1016/j.bmc.2011.01.047
BindingDB Entry DOI: 10.7270/Q2DN47WZ
More data for this
Ligand-Target Pair