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SMILES: O=C(CCCC1C(=S)SC(=Cc2cccs2)C1=O)Nc1nc2ccccc2s1

InChI Key: InChIKey=LZMSLWXRGOSJFX-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 = 50158713   
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
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50158713
PNG
(CHEMBL179817 | N-Benzothiazol-2-yl-4-{4-oxo-5-[1-t...)
Show SMILES O=C(CCCC1C(=S)SC(=Cc2cccs2)C1=O)Nc1nc2ccccc2s1 |w:10.10|
Show InChI InChI=1S/C20H16N2O2S4/c23-17(22-20-21-14-7-1-2-8-15(14)28-20)9-3-6-13-18(24)16(27-19(13)25)11-12-5-4-10-26-12/h1-2,4-5,7-8,10-11,13H,3,6,9H2,(H,21,22,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.80E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
BindingDB Entry DOI: 10.7270/Q28S4PD6
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50158713
PNG
(CHEMBL179817 | N-Benzothiazol-2-yl-4-{4-oxo-5-[1-t...)
Show SMILES O=C(CCCC1C(=S)SC(=Cc2cccs2)C1=O)Nc1nc2ccccc2s1 |w:10.10|
Show InChI InChI=1S/C20H16N2O2S4/c23-17(22-20-21-14-7-1-2-8-15(14)28-20)9-3-6-13-18(24)16(27-19(13)25)11-12-5-4-10-26-12/h1-2,4-5,7-8,10-11,13H,3,6,9H2,(H,21,22,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)


J Med Chem 48: 111-20 (2005)


Article DOI: 10.1021/jm0496077
BindingDB Entry DOI: 10.7270/Q28S4PD6
More data for this
Ligand-Target Pair