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BDBM50110164 (Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-methyl-3H-inden-1-yl)acetic acid::2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-methyl-3H-inden-1-yl)acetic acid::CHEMBL18797::SULINDAC SULFIDE::Sulindac sulphide::[6-Fluoro-2-methyl-3-(4-methylsulfanyl-benzylidene)-3H-inden-1-yl]-acetic acid::cid_5352624::{6-Fluoro-2-methyl-3-[1-(4-methylsulfanyl-phenyl)-meth-(E)-ylidene]-3H-inden-1-yl}-acetic acid::{6-Fluoro-2-methyl-3-[1-[4-(methyl-lambda*4*-sulfanyl)-phenyl]-meth-(E)-ylidene]-3H-inden-1-yl}-acetic acid

SMILES: CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1

InChI Key: InChIKey=LFWHFZJPXXOYNR-MFOYZWKCSA-N

Data: 8 KI  9 IC50  9 EC50

PDB links: 2 PDB IDs match this monomer.

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 26 hits for monomerid = 50110164   
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
Cyclooxygenase


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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PubMed
1.21E+3n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)


Article DOI: 10.1073/pnas.96.13.7563
BindingDB Entry DOI: 10.7270/Q21G0JT4
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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1.90E+3n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)


Article DOI: 10.1073/pnas.96.13.7563
BindingDB Entry DOI: 10.7270/Q21G0JT4
More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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2.70E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2SB445M
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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3.50E+3n/an/an/an/an/an/an/an/a



Oxagen Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards human CRTH2 receptor expressed in CHO cells


J Med Chem 48: 6174-7 (2005)


Article DOI: 10.1021/jm050519b
BindingDB Entry DOI: 10.7270/Q2KK9B9B
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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4.85E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20V8B7J
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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5.11E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


Article DOI: 10.1021/cb400400j
BindingDB Entry DOI: 10.7270/Q2RB7317
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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7.52E+3n/an/an/an/an/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q22R3Q30
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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>1.00E+4n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)


Article DOI: 10.1073/pnas.96.13.7563
BindingDB Entry DOI: 10.7270/Q21G0JT4
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/an/an/a 800n/an/an/an/a



Vanderbilt University Center for Structural Biology

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma expressed in human HCA7 cells assessed as induction of peroxisome proliferator response element after 12 hrs by lucifer...


J Med Chem 51: 4911-9 (2008)


Article DOI: 10.1021/jm700969c
BindingDB Entry DOI: 10.7270/Q2H70FM4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/a 100n/an/an/an/an/an/a



ZAFES/LiFF/Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 after 5 mins


J Med Chem 53: 4691-700 (2010)


Article DOI: 10.1021/jm1003073
BindingDB Entry DOI: 10.7270/Q2N016PB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/a 50n/an/an/an/an/an/a



ZAFES/LiFF/Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins


J Med Chem 53: 4691-700 (2010)


Article DOI: 10.1021/jm1003073
BindingDB Entry DOI: 10.7270/Q2N016PB
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/a 115n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of COX1


J Med Chem 55: 2287-300 (2012)


Article DOI: 10.1021/jm201528b
BindingDB Entry DOI: 10.7270/Q2WW7JQB
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/a 140n/an/an/an/an/an/a



Vanderbilt Institute of Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of COX2


J Med Chem 55: 2287-300 (2012)


Article DOI: 10.1021/jm201528b
BindingDB Entry DOI: 10.7270/Q2WW7JQB
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/a 2.15E+5n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in HEK293 cells co-overexpressing APP Swedish mutant assessed as inhibition of amyloid beta 40 production by luciferase...


Bioorg Med Chem Lett 20: 5282-5 (2010)


BindingDB Entry DOI: 10.7270/Q2NK3HVX
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/a 8.25E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in HEK293 cells co-overexpressing APP Swedish mutant assessed as inhibition of amyloid beta 42 production by luciferase...


Bioorg Med Chem Lett 20: 5282-5 (2010)


BindingDB Entry DOI: 10.7270/Q2NK3HVX
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/a 5.30E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of gamma-secretase in HEK293 cells co-overexpressing NotchdeltaE assessed as inhibition of notch cleavage by luciferase reporter gene assa...


Bioorg Med Chem Lett 20: 5282-5 (2010)


BindingDB Entry DOI: 10.7270/Q2NK3HVX
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/a 3.32E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]IN973 from gamma-secretase in human THP1 cells


J Biol Chem 282: 36829-36 (2007)


BindingDB Entry DOI: 10.7270/Q2X3517G
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/an/an/a 5.47E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2W37TR5
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/an/an/a 5.33E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q24M92ZV
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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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 I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D21W1M
More data for this
Ligand-Target Pair
GTP-binding protein (rab7)


(Canis lupus familiaris)
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/an/an/a 4.12E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2X34VWJ
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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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 I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Z31X2S
More data for this
Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa)


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/an/an/a 4.86E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q26H4FT9
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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n/an/a 5.71E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]L685458 from gamma-secretase in human THP1 cells


J Biol Chem 282: 36829-36 (2007)


BindingDB Entry DOI: 10.7270/Q2X3517G
More data for this
Ligand-Target Pair
ras protein


(Homo sapiens (Human))
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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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 I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23N21VG
More data for this
Ligand-Target Pair
Ras-related protein Rab-2A.


(Canis lupus familiaris)
BDBM50110164
PNG
((Z)-2-(3-(4-(methylthio)benzylidene)-6-fluoro-2-me...)
Show SMILES CSc1ccc(\C=C2\C(C)=C(CC(O)=O)c3cc(F)ccc23)cc1
Show InChI InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
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Article
PCBioAssay
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 I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2009)


Article DOI: 10.1111/cbdd.12131
BindingDB Entry DOI: 10.7270/Q2V40SNS
More data for this
Ligand-Target Pair