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BDBM50171428 5-Thiophen-2-yl-3-p-tolyl-[1,2,4]oxadiazole::CHEMBL191015::cid_784811

InChI string: InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-13(16-15-12)11-3-2-8-17-11/h2-8H,1H3

SMILES: Cc1ccc(cc1)-c1noc(n1)-c1cccs1

InChI Key: InChIKey=ZBIZYSIIJRBDSE-UHFFFAOYSA-N

Data: 2 IC50  6 EC50

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 8 hits for monomerid = 50171428   
Target
(Institution)
LigandTarget
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
Caspase-3


(Homo sapiens (human))
BDBM50171428
PNG
(5-Thiophen-2-yl-3-p-tolyl-[1,2,4]oxadiazole | CHEM...)
Show SMILES Cc1ccc(cc1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-13(16-15-12)11-3-2-8-17-11/h2-8H,1H3
PDB
MMDB

NCI pathway
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KEGG

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Article
PubMed
n/an/an/an/a>4.00E+4n/an/an/an/a



Maxim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Caspase-3 activation activity tested in H1299 lung cancer cells done for 24 or 48 h at 37 degree C


J Med Chem 48: 5215-23 (2005)

More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM50171428
PNG
(5-Thiophen-2-yl-3-p-tolyl-[1,2,4]oxadiazole | CHEM...)
Show SMILES Cc1ccc(cc1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-13(16-15-12)11-3-2-8-17-11/h2-8H,1H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Maxim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Caspase-3 activation activity tested in DLD1 colon cells done for 24 or 48 h at 37 degree C


J Med Chem 48: 5215-23 (2005)

More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM50171428
PNG
(5-Thiophen-2-yl-3-p-tolyl-[1,2,4]oxadiazole | CHEM...)
Show SMILES Cc1ccc(cc1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-13(16-15-12)11-3-2-8-17-11/h2-8H,1H3
PDB
MMDB

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KEGG

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Article
PubMed
n/an/an/an/a>4.00E+4n/an/an/an/a



Maxim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Caspase-3 activation activity tested in T47D breast cells done for 24 or 48 h at 37 degree C


J Med Chem 48: 5215-23 (2005)

More data for this
Ligand-Target Pair
Protein DAF-12, isoform a


(Caenorhabditis elegans)
BDBM50171428
PNG
(5-Thiophen-2-yl-3-p-tolyl-[1,2,4]oxadiazole | CHEM...)
Show SMILES Cc1ccc(cc1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-13(16-15-12)11-3-2-8-17-11/h2-8H,1H3
KEGG

UniProtKB/SwissProt

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CHEMBL
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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)

More data for this
Ligand-Target Pair
SKiNhead family member (skn-1)


(Caenorhabditis elegans)
BDBM50171428
PNG
(5-Thiophen-2-yl-3-p-tolyl-[1,2,4]oxadiazole | CHEM...)
Show SMILES Cc1ccc(cc1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-13(16-15-12)11-3-2-8-17-11/h2-8H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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AffyNet 
PCBioAssay
n/an/a 1.24E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Protein HSP-16.2


(Caenorhabditis elegans)
BDBM50171428
PNG
(5-Thiophen-2-yl-3-p-tolyl-[1,2,4]oxadiazole | CHEM...)
Show SMILES Cc1ccc(cc1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-13(16-15-12)11-3-2-8-17-11/h2-8H,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
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PC sid
UniChem

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AffyNet 
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)

More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM50171428
PNG
(5-Thiophen-2-yl-3-p-tolyl-[1,2,4]oxadiazole | CHEM...)
Show SMILES Cc1ccc(cc1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-13(16-15-12)11-3-2-8-17-11/h2-8H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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AffyNet 
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)

More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50171428
PNG
(5-Thiophen-2-yl-3-p-tolyl-[1,2,4]oxadiazole | CHEM...)
Show SMILES Cc1ccc(cc1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-13(16-15-12)11-3-2-8-17-11/h2-8H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 2.29E+3n/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)

More data for this
Ligand-Target Pair