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SMILES: OC(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1

InChI Key: InChIKey=ROQWAQIFXDUUKU-UHFFFAOYSA-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 = 50477995   
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)
BDBM50477995
PNG
(CHEMBL407352)
Show SMILES OC(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1
Show InChI InChI=1S/C13H9N3O4S/c17-10(18)7-21-13-14-11(8-3-1-5-19-8)12(15-16-13)9-4-2-6-20-9/h1-6H,7H2,(H,17,18)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477995
PNG
(CHEMBL407352)
Show SMILES OC(=O)CSc1nnc(-c2ccco2)c(n1)-c1ccco1
Show InChI InChI=1S/C13H9N3O4S/c17-10(18)7-21-13-14-11(8-3-1-5-19-8)12(15-16-13)9-4-2-6-20-9/h1-6H,7H2,(H,17,18)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair