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BDBM50431 (5Z)-2-azanylidene-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one::(5Z)-3-(4-fluorophenyl)-5-(4-hydroxybenzylidene)-2-imino-thiazolidin-4-one::(5Z)-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one::(5Z)-3-(4-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-4-thiazolidinone::3-(4-fluorophenyl)-5-(4-hydroxybenzylidene)-2-imino-1,3-thiazolidin-4-one::MLS000676410::SMR000298434::cid_1258959

SMILES: Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1

InChI Key: InChIKey=AUFODJJUERTEJJ-PHUAOCSASA-N

Data: 11 IC50

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 11 hits for monomerid = 50431   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50431
PNG
((5Z)-2-azanylidene-3-(4-fluorophenyl)-5-[(4-hydrox...)
Show SMILES Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H11FN2O2S/c17-11-3-5-12(6-4-11)19-15(21)14(22-16(19)18)9-10-1-7-13(20)8-2-10/h1-9,18,20H/b14-9-,18-16?
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n/an/a 1.55E+3n/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: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2I


(Homo sapiens (Human))
BDBM50431
PNG
((5Z)-2-azanylidene-3-(4-fluorophenyl)-5-[(4-hydrox...)
Show SMILES Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H11FN2O2S/c17-11-3-5-12(6-4-11)19-15(21)14(22-16(19)18)9-10-1-7-13(20)8-2-10/h1-9,18,20H/b14-9-,18-16?
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n/an/a 4.87E+3n/an/an/an/an/an/a



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 (2010)


BindingDB Entry DOI: 10.7270/Q2V986G8
More data for this
Ligand-Target Pair
SUMO1 activating enzyme subunit 1


(Homo sapiens (Human))
BDBM50431
PNG
((5Z)-2-azanylidene-3-(4-fluorophenyl)-5-[(4-hydrox...)
Show SMILES Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H11FN2O2S/c17-11-3-5-12(6-4-11)19-15(21)14(22-16(19)18)9-10-1-7-13(20)8-2-10/h1-9,18,20H/b14-9-,18-16?
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n/an/a 2.39E+4n/an/an/an/an/an/a



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 (2010)


BindingDB Entry DOI: 10.7270/Q2BP0175
More data for this
Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM50431
PNG
((5Z)-2-azanylidene-3-(4-fluorophenyl)-5-[(4-hydrox...)
Show SMILES Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H11FN2O2S/c17-11-3-5-12(6-4-11)19-15(21)14(22-16(19)18)9-10-1-7-13(20)8-2-10/h1-9,18,20H/b14-9-,18-16?
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n/an/a 5.84E+3n/an/an/an/an/an/a



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 (2011)


BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50431
PNG
((5Z)-2-azanylidene-3-(4-fluorophenyl)-5-[(4-hydrox...)
Show SMILES Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H11FN2O2S/c17-11-3-5-12(6-4-11)19-15(21)14(22-16(19)18)9-10-1-7-13(20)8-2-10/h1-9,18,20H/b14-9-,18-16?
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n/an/a 1.41E+4n/an/an/an/an/an/a



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 (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50431
PNG
((5Z)-2-azanylidene-3-(4-fluorophenyl)-5-[(4-hydrox...)
Show SMILES Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H11FN2O2S/c17-11-3-5-12(6-4-11)19-15(21)14(22-16(19)18)9-10-1-7-13(20)8-2-10/h1-9,18,20H/b14-9-,18-16?
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n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50431
PNG
((5Z)-2-azanylidene-3-(4-fluorophenyl)-5-[(4-hydrox...)
Show SMILES Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H11FN2O2S/c17-11-3-5-12(6-4-11)19-15(21)14(22-16(19)18)9-10-1-7-13(20)8-2-10/h1-9,18,20H/b14-9-,18-16?
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n/an/a 2.20E+3n/an/an/an/an/an/a



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 (2012)


BindingDB Entry DOI: 10.7270/Q2T43RPN
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50431
PNG
((5Z)-2-azanylidene-3-(4-fluorophenyl)-5-[(4-hydrox...)
Show SMILES Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H11FN2O2S/c17-11-3-5-12(6-4-11)19-15(21)14(22-16(19)18)9-10-1-7-13(20)8-2-10/h1-9,18,20H/b14-9-,18-16?
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n/an/a 3.29E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM50431
PNG
((5Z)-2-azanylidene-3-(4-fluorophenyl)-5-[(4-hydrox...)
Show SMILES Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H11FN2O2S/c17-11-3-5-12(6-4-11)19-15(21)14(22-16(19)18)9-10-1-7-13(20)8-2-10/h1-9,18,20H/b14-9-,18-16?
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n/an/a>8.00E+4n/an/an/an/an/an/a



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 (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM50431
PNG
((5Z)-2-azanylidene-3-(4-fluorophenyl)-5-[(4-hydrox...)
Show SMILES Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H11FN2O2S/c17-11-3-5-12(6-4-11)19-15(21)14(22-16(19)18)9-10-1-7-13(20)8-2-10/h1-9,18,20H/b14-9-,18-16?
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n/an/a>1.00E+5n/an/an/an/an/an/a



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 (2012)


BindingDB Entry DOI: 10.7270/Q2FQ9V6B
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50431
PNG
((5Z)-2-azanylidene-3-(4-fluorophenyl)-5-[(4-hydrox...)
Show SMILES Oc1ccc(\C=C2/SC(=N)N(C2=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H11FN2O2S/c17-11-3-5-12(6-4-11)19-15(21)14(22-16(19)18)9-10-1-7-13(20)8-2-10/h1-9,18,20H/b14-9-,18-16?
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n/an/a 2.29E+3n/an/an/an/an/an/a



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 (2012)


BindingDB Entry DOI: 10.7270/Q2959G44
More data for this
Ligand-Target Pair