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BDBM50483529 CHEMBL1682058

SMILES: OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(OC(F)(F)F)c2)c1O

InChI Key: InChIKey=CRZJOWGXXWBYFY-SNAWJCMRSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50483529   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrase


(Human immunodeficiency virus 1)
BDBM50483529
PNG
(CHEMBL1682058)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(OC(F)(F)F)c2)c1O
Show InChI InChI=1S/C17H10BrF3O5/c18-10-7-12(15(23)13(8-10)16(24)25)14(22)5-4-9-2-1-3-11(6-9)26-17(19,20)21/h1-8,23H,(H,24,25)/b5-4+
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/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
Integrase


(Human immunodeficiency virus 1)
BDBM50483529
PNG
(CHEMBL1682058)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(OC(F)(F)F)c2)c1O
Show InChI InChI=1S/C17H10BrF3O5/c18-10-7-12(15(23)13(8-10)16(24)25)14(22)5-4-9-2-1-3-11(6-9)26-17(19,20)21/h1-8,23H,(H,24,25)/b5-4+
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.25E+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 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)
BDBM50483529
PNG
(CHEMBL1682058)
Show SMILES OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(OC(F)(F)F)c2)c1O
Show InChI InChI=1S/C17H10BrF3O5/c18-10-7-12(15(23)13(8-10)16(24)25)14(22)5-4-9-2-1-3-11(6-9)26-17(19,20)21/h1-8,23H,(H,24,25)/b5-4+
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20E+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 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