Found 26 hits for monomerid = 50110164 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50110164
((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 |t:9| 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- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB
UniProtKB/SwissProt
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| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PCBioAssay
| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB
Reactome pathway KEGG
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| Article PubMed
| 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB MMDB
Reactome pathway KEGG
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| PCBioAssay
| 4.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB MMDB
Reactome pathway KEGG
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| PCBioAssay
| 5.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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/Q2RB7317 |
More data for this Ligand-Target Pair | |
cell division cycle 42 (GTP binding protein, 25kDa)
(Homo sapiens (Human)) | BDBM50110164
((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 |t:9| 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- | PDB MMDB
NCI pathway Reactome pathway KEGG
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| PCBioAssay
| 7.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB MMDB
NCI pathway Reactome pathway KEGG
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 800 | n/a | n/a | n/a | n/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 Structure (crystal) |
Cyclooxygenase
(Homo sapiens (Human)) | BDBM50110164
((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 |t:9| 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- | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB
KEGG
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| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB MMDB
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| Article PubMed
| n/a | n/a | 2.15E+5 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2010.06.131 BindingDB Entry DOI: 10.7270/Q2NK3HVX |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50110164
((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 |t:9| 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- | PDB MMDB
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| Article PubMed
| n/a | n/a | 8.25E+4 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2010.06.131 BindingDB Entry DOI: 10.7270/Q2NK3HVX |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50110164
((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 |t:9| 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- | PDB MMDB
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| Article PubMed
| n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2010.06.131 BindingDB Entry DOI: 10.7270/Q2NK3HVX |
More data for this Ligand-Target Pair | |
Presenilin-1
(Homo sapiens (Human)) | BDBM50110164
((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 |t:9| 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- | PDB MMDB
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| Article PubMed
| n/a | n/a | 3.32E+5 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G |
More data for this Ligand-Target Pair | |
Ras-related C3 botulinum toxin substrate 1
(Mus musculus) | BDBM50110164
((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 |t:9| 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- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| PCBioAssay
| n/a | n/a | n/a | n/a | 5.47E+4 | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| PCBioAssay
| n/a | n/a | n/a | n/a | 5.33E+4 | n/a | n/a | n/a | n/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
((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 |t:9| 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- | GoogleScholar AffyNet
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Patents
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| PCBioAssay
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 4.12E+4 | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 4.86E+4 | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB MMDB
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
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Patents
Similars
| Article PubMed
| n/a | n/a | 5.71E+4 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1074/jbc.m707002200 BindingDB Entry DOI: 10.7270/Q2X3517G |
More data for this Ligand-Target Pair | |
ras protein
(Homo sapiens (Human)) | BDBM50110164
((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 |t:9| 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- | GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/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
((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 |t:9| 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- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/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/Q2V40SNS |
More data for this Ligand-Target Pair | |