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SMILES: CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccccc2Cl)c2cccc(OC)c12

InChI Key: InChIKey=FGYRHGAPMDJCSK-ODLFYWEKSA-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 = 50482543   
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)
BDBM50482543
PNG
(CHEMBL1214417)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccccc2Cl)c2cccc(OC)c12
Show InChI InChI=1S/C22H20ClNO5/c1-3-29-22(27)19(26)11-18(25)15-13-24(12-14-7-4-5-8-16(14)23)17-9-6-10-20(28-2)21(15)17/h4-11,13,26H,3,12H2,1-2H3/b19-11-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 730n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50482543
PNG
(CHEMBL1214417)
Show SMILES CCOC(=O)C(\O)=C\C(=O)c1cn(Cc2ccccc2Cl)c2cccc(OC)c12
Show InChI InChI=1S/C22H20ClNO5/c1-3-29-22(27)19(26)11-18(25)15-13-24(12-14-7-4-5-8-16(14)23)17-9-6-10-20(28-2)21(15)17/h4-11,13,26H,3,12H2,1-2H3/b19-11-
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.31E+4n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase


Bioorg Med Chem 18: 5510-8 (2010)


Article DOI: 10.1016/j.bmc.2010.06.063
BindingDB Entry DOI: 10.7270/Q2Z322G6
More data for this
Ligand-Target Pair