BindingDB logo
myBDB logout

null

SMILES: CCc1cc2cc(sc2s1)C(=O)Nc1ccc(C)cc1

InChI Key: InChIKey=DXHJEQMKKBQGDG-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 5 hits for monomerid = 42988   
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
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM42988
PNG
(2-ethyl-N-(4-methylphenyl)-5-thieno[2,3-b]thiophen...)
Show SMILES CCc1cc2cc(sc2s1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C16H15NOS2/c1-3-13-8-11-9-14(20-16(11)19-13)15(18)17-12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.04E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 3


(Homo sapiens (Human))
BDBM42988
PNG
(2-ethyl-N-(4-methylphenyl)-5-thieno[2,3-b]thiophen...)
Show SMILES CCc1cc2cc(sc2s1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C16H15NOS2/c1-3-13-8-11-9-14(20-16(11)19-13)15(18)17-12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.08E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor corepressor 2 (TRAC-1)


(Homo sapiens (Human))
BDBM42988
PNG
(2-ethyl-N-(4-methylphenyl)-5-thieno[2,3-b]thiophen...)
Show SMILES CCc1cc2cc(sc2s1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C16H15NOS2/c1-3-13-8-11-9-14(20-16(11)19-13)15(18)17-12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3,(H,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.25E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q28914BQ
More data for this
Ligand-Target Pair
Photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM42988
PNG
(2-ethyl-N-(4-methylphenyl)-5-thieno[2,3-b]thiophen...)
Show SMILES CCc1cc2cc(sc2s1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C16H15NOS2/c1-3-13-8-11-9-14(20-16(11)19-13)15(18)17-12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.98E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 2


(Homo sapiens (Human))
BDBM42988
PNG
(2-ethyl-N-(4-methylphenyl)-5-thieno[2,3-b]thiophen...)
Show SMILES CCc1cc2cc(sc2s1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C16H15NOS2/c1-3-13-8-11-9-14(20-16(11)19-13)15(18)17-12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3,(H,17,18)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.81E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair