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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 408.5
BDBM41051
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 10 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM41051
PNG
(3-Amino-6-thiophen-2-yl-thieno[2,3-b]pyridine-2-ca...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C19H12N4OS3/c20-15-10-7-8-12(13-6-3-9-25-13)21-18(10)27-16(15)17(24)23-19-22-11-4-1-2-5-14(11)26-19/h1-9H,20H2,(H,22,23,24)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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n/an/a 3.93E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM41051
PNG
(3-Amino-6-thiophen-2-yl-thieno[2,3-b]pyridine-2-ca...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C19H12N4OS3/c20-15-10-7-8-12(13-6-3-9-25-13)21-18(10)27-16(15)17(24)23-19-22-11-4-1-2-5-14(11)26-19/h1-9H,20H2,(H,22,23,24)
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UniProtKB/SwissProt

antibodypedia
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PCBioAssay
n/an/a 5.89E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM41051
PNG
(3-Amino-6-thiophen-2-yl-thieno[2,3-b]pyridine-2-ca...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C19H12N4OS3/c20-15-10-7-8-12(13-6-3-9-25-13)21-18(10)27-16(15)17(24)23-19-22-11-4-1-2-5-14(11)26-19/h1-9H,20H2,(H,22,23,24)
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UniProtKB/SwissProt

antibodypedia
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n/an/a 6.73E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2H993M3
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM41051
PNG
(3-Amino-6-thiophen-2-yl-thieno[2,3-b]pyridine-2-ca...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C19H12N4OS3/c20-15-10-7-8-12(13-6-3-9-25-13)21-18(10)27-16(15)17(24)23-19-22-11-4-1-2-5-14(11)26-19/h1-9H,20H2,(H,22,23,24)
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n/an/a>1.00E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM41051
PNG
(3-Amino-6-thiophen-2-yl-thieno[2,3-b]pyridine-2-ca...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C19H12N4OS3/c20-15-10-7-8-12(13-6-3-9-25-13)21-18(10)27-16(15)17(24)23-19-22-11-4-1-2-5-14(11)26-19/h1-9H,20H2,(H,22,23,24)
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n/an/a>1.00E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
X-box-binding protein 1


(Homo sapiens (Human))
BDBM41051
PNG
(3-Amino-6-thiophen-2-yl-thieno[2,3-b]pyridine-2-ca...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C19H12N4OS3/c20-15-10-7-8-12(13-6-3-9-25-13)21-18(10)27-16(15)17(24)23-19-22-11-4-1-2-5-14(11)26-19/h1-9H,20H2,(H,22,23,24)
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UniProtKB/SwissProt

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n/an/a 1.00E+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: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM41051
PNG
(3-Amino-6-thiophen-2-yl-thieno[2,3-b]pyridine-2-ca...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C19H12N4OS3/c20-15-10-7-8-12(13-6-3-9-25-13)21-18(10)27-16(15)17(24)23-19-22-11-4-1-2-5-14(11)26-19/h1-9H,20H2,(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt

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DrugBank
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n/an/a 1.19E+4n/an/an/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 Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair
Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM41051
PNG
(3-Amino-6-thiophen-2-yl-thieno[2,3-b]pyridine-2-ca...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C19H12N4OS3/c20-15-10-7-8-12(13-6-3-9-25-13)21-18(10)27-16(15)17(24)23-19-22-11-4-1-2-5-14(11)26-19/h1-9H,20H2,(H,22,23,24)
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
POsterior Segregation


(Caenorhabditis elegans)
BDBM41051
PNG
(3-Amino-6-thiophen-2-yl-thieno[2,3-b]pyridine-2-ca...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C19H12N4OS3/c20-15-10-7-8-12(13-6-3-9-25-13)21-18(10)27-16(15)17(24)23-19-22-11-4-1-2-5-14(11)26-19/h1-9H,20H2,(H,22,23,24)
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UniProtKB/TrEMBL

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n/an/an/an/a 1.92E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)
BDBM41051
PNG
(3-Amino-6-thiophen-2-yl-thieno[2,3-b]pyridine-2-ca...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C19H12N4OS3/c20-15-10-7-8-12(13-6-3-9-25-13)21-18(10)27-16(15)17(24)23-19-22-11-4-1-2-5-14(11)26-19/h1-9H,20H2,(H,22,23,24)
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair