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

SMILES: CCc1cc(ccn1)C(N)=S

InChI Key: InChIKey=AEOCXXJPGCBFJA-UHFFFAOYSA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50239976   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50239976
PNG
(1314 TH | CHEBI:4885 | ETHIONAMIDE | Ethionamide |...)
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)
UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate by Lineweaver-Burk plots analysis


Eur J Med Chem 106: 157-66 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.033
BindingDB Entry DOI: 10.7270/Q2514270
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50239976
PNG
(1314 TH | CHEBI:4885 | ETHIONAMIDE | Ethionamide |...)
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)
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50239976
PNG
(1314 TH | CHEBI:4885 | ETHIONAMIDE | Ethionamide |...)
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)
UniProtKB/SwissProt

GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Kyungpook National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as substrate


Eur J Med Chem 106: 157-66 (2015)


Article DOI: 10.1016/j.ejmech.2015.10.033
BindingDB Entry DOI: 10.7270/Q2514270
More data for this
Ligand-Target Pair