BDBM50108877 (3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone::(3,4-dihydroxy-5-nitrophenyl)(p-tolyl)methanone::CHEMBL1324::Ro-40-7592::TOLCAPONE::Talcapone::Tasmar

SMILES Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O

InChI Key InChIKey=MIQPIUSUKVNLNT-UHFFFAOYSA-N

Data  27 IC50  6 Kd  1 EC50

PDB links: 9 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50108877   

TargetBile salt export pump(Rattus norvegicus)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50108877((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)
Affinity DataIC50:  4.72E+4nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50108877((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)
Affinity DataIC50:  1.20E+5nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50108877((3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone |...)
Affinity DataIC50: <3.39E+4nMAssay Description:Tested in vitro for dopamine(DA) neuronal uptake inhibitionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed