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1 similar compounds to monomer 36349

Wt: 282.3
BDBM50088447
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50088447   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50088447
PNG
((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/s2
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4.60E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Competitive reversible inhibition of CYP2B6 in human liver microsomes incubated for 3 mins prior to NADPH addition measured after 10 mins by Dixon pl...


Drug Metab Dispos 40: 1757-64 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50088447
PNG
((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/s2
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2.50E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant CYP3A4 (unknown origin) incubated for 3 mins prior to NADPH addition measured after 3 mins


Drug Metab Dispos 40: 1757-64 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50088447
PNG
((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/s2
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n/an/a 1.21E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP2B6 (unknown origin) incubated for 3 mins prior to NADPH addition measured after 10 mins by LC-MS analysis


Drug Metab Dispos 40: 1757-64 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50088447
PNG
((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/s2
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n/an/an/an/a 5.90E+3n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Induction of CYP3A4 in human hepatocytes after 72 hrs relative to vehicle-treated control


Drug Metab Dispos 40: 1757-64 (2012)

More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50088447
PNG
((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/s2
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PubMed
n/an/an/an/a 3.00E+4n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Activation of human PXR expressed in human LS174T cells


Drug Metab Dispos 40: 1757-64 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50088447
PNG
((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/s2
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Article
PubMed
n/an/an/an/a 600n/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Induction of CYP2B6 in human hepatocytes after 72 hrs relative to vehicle-treated control


Drug Metab Dispos 40: 1757-64 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50088447
PNG
((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/s2
PDB
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Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes incubated for 3 mins prior to NADPH addition measured after 3 mins by LC-MS analysis


Drug Metab Dispos 40: 1757-64 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50088447
PNG
((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/s2
PDB
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Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP3A4 (unknown origin) incubated for 3 mins prior to NADPH addition measured after 3 mins by LC-MS analysis


Drug Metab Dispos 40: 1757-64 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50088447
PNG
((+)-ARTEMISININ | (+)-Artemisinin | CHEBI:223316)
Show SMILES C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Show InChI InChI=1/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/s2
PDB

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Article
PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of CYP2B6 in human liver microsomes incubated for 3 mins prior to NADPH addition measured after 10 mins by LC-MS analysis


Drug Metab Dispos 40: 1757-64 (2012)

More data for this
Ligand-Target Pair