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SMILES: CCn1c(SCc2nc(no2)-c2ccccc2)nnc1-c1cccs1

InChI Key: InChIKey=ZYPUWMYTQJWENU-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 3 hits for monomerid = 44462   
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
Ephrin type-A receptor 4


(Mus musculus)
BDBM44462
PNG
(5-({[4-ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]t...)
Show SMILES CCn1c(SCc2nc(no2)-c2ccccc2)nnc1-c1cccs1
Show InChI InChI=1S/C17H15N5OS2/c1-2-22-16(13-9-6-10-24-13)19-20-17(22)25-11-14-18-15(21-23-14)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
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PC sid
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PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2P55KW4
More data for this
Ligand-Target Pair
Importin subunit alpha-1


(Homo sapiens (Human))
BDBM44462
PNG
(5-({[4-ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]t...)
Show SMILES CCn1c(SCc2nc(no2)-c2ccccc2)nnc1-c1cccs1
Show InChI InChI=1S/C17H15N5OS2/c1-2-22-16(13-9-6-10-24-13)19-20-17(22)25-11-14-18-15(21-23-14)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
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antibodypedia
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n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4


(Mus musculus)
BDBM44462
PNG
(5-({[4-ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]t...)
Show SMILES CCn1c(SCc2nc(no2)-c2ccccc2)nnc1-c1cccs1
Show InChI InChI=1S/C17H15N5OS2/c1-2-22-16(13-9-6-10-24-13)19-20-17(22)25-11-14-18-15(21-23-14)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
PDB
MMDB

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PC cid
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UniChem

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



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2JD4V5T
More data for this
Ligand-Target Pair