BDBM50066721 1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one::1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)thioxanthen-9-one::1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one::1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)-9H-thioxanthen-9-one::CHEMBL22077::Hycanthon::Hycanthone::Lucanthone metabolite

SMILES CCN(CC)CCNc1ccc(c2c1C(=O)c3ccccc3S2)CO

InChI Key InChIKey=MFZWMTSUNYWVBU-UHFFFAOYSA-N

Data  3 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50066721   

TargetCytochrome P450 2D6(Human)
University of Leicester

Curated by ChEMBL
LigandPNGBDBM50066721(1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)...)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibitory concentration against cytochrome P450 2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50066721(1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)...)
Affinity DataIC50: 2.98E+4nMAssay 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 Depth
Date in BDB:
9/28/2019
Entry Details Article
PubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Human)
Russian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50066721(1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)...)
Affinity DataKd:  10nMAssay Description:Binding affinity to full length human APE1 expressed in Escherichia coli BL21/DE3More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetDNA-(apurinic or apyrimidinic site) endonuclease(Human)
Russian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50066721(1-{[2-(diethylamino)ethyl]amino}-4-(hydroxymethyl)...)
Affinity DataIC50: 80nMAssay Description:Inhibition of full length human APE1 expressed in Escherichia coli BL21/DE3 assessed as inhibition of incision of depurinated supercoiled pUC18 plasm...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed