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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 259.3
BDBM49177
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 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
Protein skinhead-1


(Caenorhabditis elegans)
BDBM49177
PNG
(2-pyridyl-[4-(2-thienyl)thiazol-2-yl]amine | MLS00...)
Show SMILES N(c1nc(cs1)-c1cccs1)c1ccccn1
Show InChI InChI=1S/C12H9N3S2/c1-2-6-13-11(5-1)15-12-14-9(8-17-12)10-4-3-7-16-10/h1-8H,(H,13,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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PCBioAssay
n/an/a 2.17E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Heat shock protein hsp-16.2


(Caenorhabditis elegans)
BDBM49177
PNG
(2-pyridyl-[4-(2-thienyl)thiazol-2-yl]amine | MLS00...)
Show SMILES N(c1nc(cs1)-c1cccs1)c1ccccn1
Show InChI InChI=1S/C12H9N3S2/c1-2-6-13-11(5-1)15-12-14-9(8-17-12)10-4-3-7-16-10/h1-8H,(H,13,14,15)
KEGG

UniProtKB/SwissProt

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PCBioAssay
n/an/a>6.40E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q21J98BN
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM49177
PNG
(2-pyridyl-[4-(2-thienyl)thiazol-2-yl]amine | MLS00...)
Show SMILES N(c1nc(cs1)-c1cccs1)c1ccccn1
Show InChI InChI=1S/C12H9N3S2/c1-2-6-13-11(5-1)15-12-14-9(8-17-12)10-4-3-7-16-10/h1-8H,(H,13,14,15)
PDB

UniProtKB/SwissProt

antibodypedia
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PCBioAssay
n/an/an/an/a 9.21E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B856KG
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49177
PNG
(2-pyridyl-[4-(2-thienyl)thiazol-2-yl]amine | MLS00...)
Show SMILES N(c1nc(cs1)-c1cccs1)c1ccccn1
Show InChI InChI=1S/C12H9N3S2/c1-2-6-13-11(5-1)15-12-14-9(8-17-12)10-4-3-7-16-10/h1-8H,(H,13,14,15)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 6.75E+4n/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: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23F4N80
More data for this
Ligand-Target Pair
Nuclear hormone receptor family member daf-12


(Caenorhabditis elegans)
BDBM49177
PNG
(2-pyridyl-[4-(2-thienyl)thiazol-2-yl]amine | MLS00...)
Show SMILES N(c1nc(cs1)-c1cccs1)c1ccccn1
Show InChI InChI=1S/C12H9N3S2/c1-2-6-13-11(5-1)15-12-14-9(8-17-12)10-4-3-7-16-10/h1-8H,(H,13,14,15)
KEGG

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 6.75E+4n/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 (2013)


BindingDB Entry DOI: 10.7270/Q2BV7F8Z
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM49177
PNG
(2-pyridyl-[4-(2-thienyl)thiazol-2-yl]amine | MLS00...)
Show SMILES N(c1nc(cs1)-c1cccs1)c1ccccn1
Show InChI InChI=1S/C12H9N3S2/c1-2-6-13-11(5-1)15-12-14-9(8-17-12)10-4-3-7-16-10/h1-8H,(H,13,14,15)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 667n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair