BDBM30705 CHEMBL744::MLS000069369::RILUZOLE::SMR000058231::cid_5070

SMILES Nc1nc2ccc(OC(F)(F)F)cc2s1

InChI Key InChIKey=FTALBRSUTCGOEG-UHFFFAOYSA-N

Data  1 KI  18 IC50  2 EC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 30705   

TargetPteridine reductase 1(Leishmania major)
Rutgers University

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataKi:  4.00E+3nMAssay Description:Inhibition of Leishmania major PTR1 by Lineweaver-Burk analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
University Of Modena And Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of human CYP2C19 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50:  1.80E+5nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 2 subunit alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50:  2.20E+3nMAssay Description:Blockade of synaptosomal sodium channels, inhibition of [14C]-guanidinium ion flux into CHO cells expressing Type II sodium channelMore data for this Ligand-Target Pair
In DepthDetails Article
TargetPotassium channel subfamily K member 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataEC50:  1.39E+5nMAssay Description:Activation of TREK1 (unknown origin) expressed in COS7 cells assessed as increase in whole cell currents at +50 mV relative to controlMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 2 subunit alpha(Rattus norvegicus)
Cambridge Neuroscience

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50:  4.73E+3nMAssay Description:Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPteridine reductase 1(Leishmania major)
Rutgers University

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50:  5.00E+4nMAssay Description:Inhibition of Leishmania major PTR1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDihydrofolate reductase(Homo sapiens (Human))
Rutgers University

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50:  3.12E+5nMAssay Description:Inhibition of human DHFRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50:  1.39E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
University Of Modena And Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50: <1.00E+4nMAssay Description:Inhibition of human CYP1A2 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2C9(Homo sapiens (Human))
University Of Modena And Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of human CYP2C9 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
University Of Modena And Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of human CYP2D6 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPteridine reductase 1(Leishmania major)
Rutgers University

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50:  9.41E+4nMAssay Description:Inhibition of Leishmania major pteridine reductase 1 using di-hydrobiopterine as substrate in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
University Of Modena And Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50: >2.50E+4nMAssay Description:Displacement of Tracer Red from human ERG by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
University Of Modena And Reggio Emilia

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of human CYP3A4 expressed in baculovirus infected insect cells using beetle D-luciferin as substrate preincubated for 30 mins followed by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataEC50:  9.90E+4nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM30705(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Affinity DataIC50:  1.60E+5nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed