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BDBM33113 (5Z)-2-(2,3-dimethylanilino)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-4-thiazolone::(5Z)-2-(2,3-dimethylanilino)-5-[(E)-3-(2-furyl)prop-2-enylidene]-2-thiazolin-4-one::(5Z)-2-(2,3-dimethylanilino)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one::(5Z)-2-[(2,3-dimethylphenyl)amino]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazol-4-one::2-(2,3-Dimethyl-phenylamino)-5-[(E)-3-furan-2-yl-prop-2-en-(Z)-ylidene]-thiazol-4-one::MLS000331429::SMR000220876::cid_1943921

SMILES: Cc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1C

InChI Key: InChIKey=JZWFUUKHNZTGMD-UHFFFAOYSA-N

Data: 4 IC50  2 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 6 hits for monomerid = 33113   
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
Bcl-2-related protein A1


(Homo sapiens (Human))
BDBM33113
PNG
((5Z)-2-(2,3-dimethylanilino)-5-[(E)-3-(2-furanyl)p...)
Show SMILES Cc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1C |w:13.14,15.16,t:7|
Show InChI InChI=1S/C18H16N2O2S/c1-12-6-3-9-15(13(12)2)19-18-20-17(21)16(23-18)10-4-7-14-8-5-11-22-14/h3-11H,1-2H3,(H,19,20,21)
PDB
MMDB

NCI pathway
KEGG

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n/an/an/an/a 3.17E+3n/an/a7.44



NMMLSC

Curated by PubChem BioAssay


Assay Description
The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CN728N
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens (Human))
BDBM33113
PNG
((5Z)-2-(2,3-dimethylanilino)-5-[(E)-3-(2-furanyl)p...)
Show SMILES Cc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1C |w:13.14,15.16,t:7|
Show InChI InChI=1S/C18H16N2O2S/c1-12-6-3-9-15(13(12)2)19-18-20-17(21)16(23-18)10-4-7-14-8-5-11-22-14/h3-11H,1-2H3,(H,19,20,21)
PDB
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n/an/an/an/a 4.66E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M61HPT
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM33113
PNG
((5Z)-2-(2,3-dimethylanilino)-5-[(E)-3-(2-furanyl)p...)
Show SMILES Cc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1C |w:13.14,15.16,t:7|
Show InChI InChI=1S/C18H16N2O2S/c1-12-6-3-9-15(13(12)2)19-18-20-17(21)16(23-18)10-4-7-14-8-5-11-22-14/h3-11H,1-2H3,(H,19,20,21)
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n/an/a 2.99E+3n/an/an/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: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
NS3


(Hepatitis C virus)
BDBM33113
PNG
((5Z)-2-(2,3-dimethylanilino)-5-[(E)-3-(2-furanyl)p...)
Show SMILES Cc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1C |w:13.14,15.16,t:7|
Show InChI InChI=1S/C18H16N2O2S/c1-12-6-3-9-15(13(12)2)19-18-20-17(21)16(23-18)10-4-7-14-8-5-11-22-14/h3-11H,1-2H3,(H,19,20,21)
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n/an/a 5.49E+3n/an/an/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2XS5ST3
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM33113
PNG
((5Z)-2-(2,3-dimethylanilino)-5-[(E)-3-(2-furanyl)p...)
Show SMILES Cc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1C |w:13.14,15.16,t:7|
Show InChI InChI=1S/C18H16N2O2S/c1-12-6-3-9-15(13(12)2)19-18-20-17(21)16(23-18)10-4-7-14-8-5-11-22-14/h3-11H,1-2H3,(H,19,20,21)
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n/an/a 5.37E+4n/an/an/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: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM33113
PNG
((5Z)-2-(2,3-dimethylanilino)-5-[(E)-3-(2-furanyl)p...)
Show SMILES Cc1cccc(NC2=NC(=O)C(S2)=CC=Cc2ccco2)c1C |w:13.14,15.16,t:7|
Show InChI InChI=1S/C18H16N2O2S/c1-12-6-3-9-15(13(12)2)19-18-20-17(21)16(23-18)10-4-7-14-8-5-11-22-14/h3-11H,1-2H3,(H,19,20,21)
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n/an/a 4.09E+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