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SMILES: OC(=O)C(=O)CC(=O)c1ccsc1Cc1ccccc1

InChI Key: InChIKey=HTGWIZWPKBPISH-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50095511   
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)
BDBM50095511
PNG
(4-(2-Benzyl-thiophen-3-yl)-2,4-dioxo-butyric acid ...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccsc1Cc1ccccc1
Show InChI InChI=1S/C15H12O4S/c16-12(9-13(17)15(18)19)11-6-7-20-14(11)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
Strand transfer inhibitory activity against HIV-1 integrase


J Med Chem 48: 7084-8 (2005)


Article DOI: 10.1021/jm050549e
BindingDB Entry DOI: 10.7270/Q27W6BR1
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50095511
PNG
(4-(2-Benzyl-thiophen-3-yl)-2,4-dioxo-butyric acid ...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccsc1Cc1ccccc1
Show InChI InChI=1S/C15H12O4S/c16-12(9-13(17)15(18)19)11-6-7-20-14(11)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay.


J Med Chem 43: 4923-6 (2001)


BindingDB Entry DOI: 10.7270/Q2930SFS
More data for this
Ligand-Target Pair