BDBM50239976 1314 TH::CHEBI:4885::Ethionamide::Trecator::Trecator-Sc

SMILES CCc1cc(ccn1)C(N)=S

InChI Key InChIKey=AEOCXXJPGCBFJA-UHFFFAOYSA-N

Data  1 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50239976   

TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kyungpook National University

Curated by ChEMBL
LigandPNGBDBM50239976(1314 TH | CHEBI:4885 | Ethionamide | Trecator | Tr...)
Show SMILES CCc1cc(ccn1)C(N)=S
Show InChI InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
Affinity DataKi:  1.90E+3nMAssay Description:Non-competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate by Lineweaver-Burk plots analysisMore data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50239976(1314 TH | CHEBI:4885 | Ethionamide | Trecator | Tr...)
Show SMILES CCc1cc(ccn1)C(N)=S
Show InChI InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
Affinity DataIC50: 1.00E+6nMAssay 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
TargetPolyphenol oxidase 2(Agaricus bisporus (Common mushroom))
Kyungpook National University

Curated by ChEMBL
LigandPNGBDBM50239976(1314 TH | CHEBI:4885 | Ethionamide | Trecator | Tr...)
Show SMILES CCc1cc(ccn1)C(N)=S
Show InChI InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of mushroom tyrosinase using L-tyrosine as substrateMore data for this Ligand-Target Pair