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SMILES: COc1cccc2n(Cc3cc(F)cc(F)c3)cc(C(=O)\C=C(/O)C(O)=O)c12

InChI Key: InChIKey=FWKCJYBRMZTPSS-IUXPMGMMSA-N

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 2 hits for monomerid = 50479405   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Integrase


(Human immunodeficiency virus 1)
BDBM50479405
PNG
(CHEMBL524066)
Show SMILES COc1cccc2n(Cc3cc(F)cc(F)c3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15F2NO5/c1-28-18-4-2-3-15-19(18)14(16(24)8-17(25)20(26)27)10-23(15)9-11-5-12(21)7-13(22)6-11/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50479405
PNG
(CHEMBL524066)
Show SMILES COc1cccc2n(Cc3cc(F)cc(F)c3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H15F2NO5/c1-28-18-4-2-3-15-19(18)14(16(24)8-17(25)20(26)27)10-23(15)9-11-5-12(21)7-13(22)6-11/h2-8,10,25H,9H2,1H3,(H,26,27)/b17-8-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 440n/an/an/an/an/an/a



Universita di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase activity by ELISA


J Med Chem 52: 569-73 (2009)


Article DOI: 10.1021/jm8009266
BindingDB Entry DOI: 10.7270/Q2NV9N29
More data for this
Ligand-Target Pair