BDBM50248132 CHEBI:652992::DOXYCYCLINE HYDROCHLORIDE::Doxycycline HCl

SMILES [H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]2O

InChI Key InChIKey=JBIWCJUYHHGXTC-UHFFFAOYSA-N

Data  1 KI  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50248132   

LigandPNGBDBM50248132(DOXYCYCLINE HYDROCHLORIDE | CHEBI:652992 | Doxycyc...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM50248132(DOXYCYCLINE HYDROCHLORIDE | CHEBI:652992 | Doxycyc...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50248132(DOXYCYCLINE HYDROCHLORIDE | CHEBI:652992 | Doxycyc...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
LigandPNGBDBM50248132(DOXYCYCLINE HYDROCHLORIDE | CHEBI:652992 | Doxycyc...)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetNAD(+) hydrolase SARM1(Human)
Umass Medical School

Curated by ChEMBL
LigandPNGBDBM50248132(DOXYCYCLINE HYDROCHLORIDE | CHEBI:652992 | Doxycyc...)
Affinity DataIC50: 1.45E+5nMAssay Description:Inhibition of recombinant human SARM1 TIR domain (561 to 724 residues) expressed in Escherichia coli C43 (DE3) cells lysates using ENAD as substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetNAD(+) hydrolase SARM1(Human)
Umass Medical School

Curated by ChEMBL
LigandPNGBDBM50248132(DOXYCYCLINE HYDROCHLORIDE | CHEBI:652992 | Doxycyc...)
Affinity DataKi:  2.80E+5nMAssay Description:Noncompetitive inhibition of recombinant human SARM1 TIR domain (561 to 724 residues) expressed in Escherichia coli C43 (DE3) cells lysates assessed ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed