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SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1

InChI Key InChIKey=KYRVNWMVYQXFEU-UHFFFAOYSA-N

PDB links: 2 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 97233   

TargetNuclear receptor subfamily 0 group B member 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM97233(CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...)copy SMILEScopy InChI
Affinity DataIC50: 833nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q23777B0PCBioAssay
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM97233(CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...)copy SMILEScopy InChI
Affinity DataIC50: 6.75E+4nMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZG6QV9PCBioAssay
TargetTubulin alpha-1A chain(Sus scrofa (Pig))
Smith Kline & French Laboratories

Curated by ChEMBL
LigandPNGBDBM97233(CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...)copy SMILEScopy InChI
Affinity DataIC50: 5.70E+3nMAssay Description:Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.More data for this Ligand-Target Pair
TargetSimilar to alpha-tubulin isoform 1(Bos taurus)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM97233(CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...)copy SMILEScopy InChI
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of bovine brain tubulin polymerization incubated for 90 mins by fluorescence-based assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29K4D16PubMed
TargetTubulin beta chain(Sus scrofa)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM97233(CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...)copy SMILEScopy InChI
Affinity DataIC50: 760nMAssay Description:In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees CMore data for this Ligand-Target Pair
TargetTubulin beta chain(Sus scrofa)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM97233(CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...)copy SMILEScopy InChI
Affinity DataIC50: 760nMAssay Description:Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry analysisMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Korea Institute of Science and Technology (KAIST)

Curated by ChEMBL
LigandPNGBDBM97233(CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...)copy SMILEScopy InChI
Affinity DataIC50: 640nMAssay Description:Inhibition of breakpoint cluster region-Abelson tyrosine kinase T315I mutant (unknown origin) using [gamma-33P]ATP as substrate by radiometric kinase...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BG2RW2PubMed
TargetTubulin beta chain(Sus scrofa)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM97233(CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...)copy SMILEScopy InChI
Affinity DataIC50: 760nMAssay Description:Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetryMore data for this Ligand-Target Pair
TargetTubulin beta chain(Sus scrofa)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM97233(CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...)copy SMILEScopy InChI
Affinity DataIC50: 760nMAssay Description:Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetric assayMore data for this Ligand-Target Pair
TargetTubulin beta chain(Sus scrofa)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM97233(CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...)copy SMILEScopy InChI
Affinity DataIC50: 760nMAssay Description:Inhibition of pig tubulin polymerization determined after 45 mins at 37 degC by turbidimetric analysisMore data for this Ligand-Target Pair
TargetTubulin beta chain(Sus scrofa)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM97233(CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...)copy SMILEScopy InChI
Affinity DataIC50: 760nMAssay Description:Inhibition of porcine brain tubulin polymerizationMore data for this Ligand-Target Pair
TargetTubulin beta chain(Sus scrofa)
Westphalian Wilhelms-University

Curated by ChEMBL
LigandPNGBDBM97233(CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...)copy SMILEScopy InChI
Affinity DataIC50: 760nMAssay Description:Inhibition of tubulin polymerization in porcine brainMore data for this Ligand-Target Pair