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SMILES: CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2c(F)ccc(F)c2F)c2cccc(OC)c12

InChI Key: InChIKey=JKXYZORDWPTUMV-NVMNQCDNSA-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 = 50479410   
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)
BDBM50479410
PNG
(CHEMBL498204)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2c(F)ccc(F)c2F)c2cccc(OC)c12
Show InChI InChI=1S/C22H18F3NO5/c1-3-31-22(29)18(28)9-17(27)13-11-26(16-5-4-6-19(30-2)20(13)16)10-12-14(23)7-8-15(24)21(12)25/h4-9,11,28H,3,10H2,1-2H3/b18-9-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/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
Integrase


(Human immunodeficiency virus 1)
BDBM50479410
PNG
(CHEMBL498204)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2c(F)ccc(F)c2F)c2cccc(OC)c12
Show InChI InChI=1S/C22H18F3NO5/c1-3-31-22(29)18(28)9-17(27)13-11-26(16-5-4-6-19(30-2)20(13)16)10-12-14(23)7-8-15(24)21(12)25/h4-9,11,28H,3,10H2,1-2H3/b18-9-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 820n/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