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SMILES: COc1ccc(cc1OC)-c1csc2nc(oc(=O)c12)-c1ccc(C)cc1

InChI Key: InChIKey=GVDZSWDAOUSYSV-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 = 54970   
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
Core protein


(Hepatitis C virus)
BDBM54970
PNG
(5-(3,4-Dimethoxy-phenyl)-2-p-tolyl-thieno[2,3-d][1...)
Show SMILES COc1ccc(cc1OC)-c1csc2nc(oc(=O)c12)-c1ccc(C)cc1
Show InChI InChI=1S/C21H17NO4S/c1-12-4-6-13(7-5-12)19-22-20-18(21(23)26-19)15(11-27-20)14-8-9-16(24-2)17(10-14)25-3/h4-11H,1-3H3
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair
Neutrophil cytosol factor 1 [S99G]


(Homo sapiens (Human))
BDBM54970
PNG
(5-(3,4-Dimethoxy-phenyl)-2-p-tolyl-thieno[2,3-d][1...)
Show SMILES COc1ccc(cc1OC)-c1csc2nc(oc(=O)c12)-c1ccc(C)cc1
Show InChI InChI=1S/C21H17NO4S/c1-12-4-6-13(7-5-12)19-22-20-18(21(23)26-19)15(11-27-20)14-8-9-16(24-2)17(10-14)25-3/h4-11H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair