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BDBM47005 MLS000114722::N-(2-fluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide::N-(2-fluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamide::N-(2-fluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetamide::SMR000092058::cid_891159

SMILES: Fc1ccccc1NC(=O)CSc1nnc(o1)-c1ccccc1

InChI Key: InChIKey=OABLYVPGXRUUBE-UHFFFAOYSA-N

Data: 1 IC50  7 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 = 47005   
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
RGS7


(Homo sapiens (Human))
BDBM47005
PNG
(MLS000114722 | N-(2-fluorophenyl)-2-[(5-phenyl-1,3...)
Show SMILES Fc1ccccc1NC(=O)CSc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C16H12FN3O2S/c17-12-8-4-5-9-13(12)18-14(21)10-23-16-20-19-15(22-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PV6HS7
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM47005
PNG
(MLS000114722 | N-(2-fluorophenyl)-2-[(5-phenyl-1,3...)
Show SMILES Fc1ccccc1NC(=O)CSc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C16H12FN3O2S/c17-12-8-4-5-9-13(12)18-14(21)10-23-16-20-19-15(22-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2K35S27
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM47005
PNG
(MLS000114722 | N-(2-fluorophenyl)-2-[(5-phenyl-1,3...)
Show SMILES Fc1ccccc1NC(=O)CSc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C16H12FN3O2S/c17-12-8-4-5-9-13(12)18-14(21)10-23-16-20-19-15(22-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
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PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2WH2NDV
More data for this
Ligand-Target Pair
tumor necrosis factor receptor superfamily member 10B isoform 1 precursor [Homo sapiens]


(Homo sapiens (Human))
BDBM47005
PNG
(MLS000114722 | N-(2-fluorophenyl)-2-[(5-phenyl-1,3...)
Show SMILES Fc1ccccc1NC(=O)CSc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C16H12FN3O2S/c17-12-8-4-5-9-13(12)18-14(21)10-23-16-20-19-15(22-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2P55M4P
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens (Human))
BDBM47005
PNG
(MLS000114722 | N-(2-fluorophenyl)-2-[(5-phenyl-1,3...)
Show SMILES Fc1ccccc1NC(=O)CSc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C16H12FN3O2S/c17-12-8-4-5-9-13(12)18-14(21)10-23-16-20-19-15(22-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
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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/Q2154FGT
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM47005
PNG
(MLS000114722 | N-(2-fluorophenyl)-2-[(5-phenyl-1,3...)
Show SMILES Fc1ccccc1NC(=O)CSc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C16H12FN3O2S/c17-12-8-4-5-9-13(12)18-14(21)10-23-16-20-19-15(22-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
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NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TM78JD
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM47005
PNG
(MLS000114722 | N-(2-fluorophenyl)-2-[(5-phenyl-1,3...)
Show SMILES Fc1ccccc1NC(=O)CSc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C16H12FN3O2S/c17-12-8-4-5-9-13(12)18-14(21)10-23-16-20-19-15(22-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
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Article
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb400177q
BindingDB Entry DOI: 10.7270/Q2F76B0G
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM47005
PNG
(MLS000114722 | N-(2-fluorophenyl)-2-[(5-phenyl-1,3...)
Show SMILES Fc1ccccc1NC(=O)CSc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C16H12FN3O2S/c17-12-8-4-5-9-13(12)18-14(21)10-23-16-20-19-15(22-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,18,21)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair