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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 364.3
BDBM68179
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68179
PNG
(3-Amino-6-pyridin-3-yl-thieno[2,3-b]pyridine-2-car...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccnc1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C19H13FN4OS/c20-13-5-1-2-6-15(13)23-18(25)17-16(21)12-7-8-14(24-19(12)26-17)11-4-3-9-22-10-11/h1-10H,21H2,(H,23,25)
KEGG

UniProtKB/SwissProt

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UniChem

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PCBioAssay
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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68179
PNG
(3-Amino-6-pyridin-3-yl-thieno[2,3-b]pyridine-2-car...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccnc1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C19H13FN4OS/c20-13-5-1-2-6-15(13)23-18(25)17-16(21)12-7-8-14(24-19(12)26-17)11-4-3-9-22-10-11/h1-10H,21H2,(H,23,25)
KEGG

UniProtKB/SwissProt

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UniChem

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PCBioAssay
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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM68179
PNG
(3-Amino-6-pyridin-3-yl-thieno[2,3-b]pyridine-2-car...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccnc1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C19H13FN4OS/c20-13-5-1-2-6-15(13)23-18(25)17-16(21)12-7-8-14(24-19(12)26-17)11-4-3-9-22-10-11/h1-10H,21H2,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PCBioAssay
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
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM68179
PNG
(3-Amino-6-pyridin-3-yl-thieno[2,3-b]pyridine-2-car...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccnc1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C19H13FN4OS/c20-13-5-1-2-6-15(13)23-18(25)17-16(21)12-7-8-14(24-19(12)26-17)11-4-3-9-22-10-11/h1-10H,21H2,(H,23,25)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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n/an/a 1.40E+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 (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))
BDBM68179
PNG
(3-Amino-6-pyridin-3-yl-thieno[2,3-b]pyridine-2-car...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccnc1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C19H13FN4OS/c20-13-5-1-2-6-15(13)23-18(25)17-16(21)12-7-8-14(24-19(12)26-17)11-4-3-9-22-10-11/h1-10H,21H2,(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.66E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair