Compile Data Set for Download or QSAR
Report error Found 25 of ki for UniProtKB: P20813
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 85509BDBM85509(NSC_5472 | CAS_55142-85-3 | Ticlopidine)
Affinity DataKi:  200nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by bupropion hydroxylation using human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50333117BDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataKi:  340nMAssay Description:Inhibition of CYP2B6 in human liver microsomes assessed as bupropion 4-hydroxylation after 15 mins by Dixon plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2011
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50333117BDBM50333117((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...)
Affinity DataKi:  400nMAssay Description:Inhibition of CYP2B6 in human liver microsomes assessed as efavirenz 8-hydroxylation after 10 mins by Dixon plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2011
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50397662BDBM50397662(CLOPIDOGREL)
Affinity DataKi:  500nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 using human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50397662BDBM50397662(CLOPIDOGREL)
Affinity DataKi:  500nMAssay Description:Time dependent inhibition of CYP2B6 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50318484BDBM50318484(CHEMBL190461 | 2-((1R,6R)-6-Isopropenyl-3-methyl-c...)
Affinity DataKi:  690nMAssay Description:Mixed type inhibition of human recombinant CYP2B6 expressed in baculovirus-infected insect cells using coumarin as substrate preincubated for 5 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 85509BDBM85509(NSC_5472 | CAS_55142-85-3 | Ticlopidine)
Affinity DataKi:  800nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by bupropion hydroxylation using recombinant CYP2B6More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50187243BDBM50187243(ethinyloestradiol | 17alpha-ethynylestra-1,3,5(10)...)
Affinity DataKi:  800nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by 7-EFC O-deethylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50187243BDBM50187243(ethinyloestradiol | 17alpha-ethynylestra-1,3,5(10)...)
Affinity DataKi:  900nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by 7-EFC O-deethylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 20607BDBM20607((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Affinity DataKi:  900nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by 7-EFC O-deethylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50397662BDBM50397662(CLOPIDOGREL)
Affinity DataKi:  1.10E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 using recombinant CYP2B6More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50418085BDBM50418085(CHEMBL1743344)
Affinity DataKi:  1.20E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50532215BDBM50532215(CBD-V | CBDV | Cannabidivarin | GWP42006)
Affinity DataKi:  1.30E+3nMAssay Description:Mixed inhibition of recombinant CYP2B6 (unknown origin) using coumarin as substrate in presence of NADPH-generating system by Lineweaver-burk plots a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50418086BDBM50418086(Thioplex | THIOTEPA)
Affinity DataKi:  2.20E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by bupropion hydroxylation using a recombinant systemMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50061117BDBM50061117(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol(C...)
Affinity DataKi:  2.55E+3nMAssay Description:Inhibition of recombinant human CYP2B6 using coumarin as substrate preincubated with NADPH for 20 mins and measured after 30 min by Lineweaver-burk p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50418086BDBM50418086(Thioplex | THIOTEPA)
Affinity DataKi:  3.80E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by bupropion hydroxylation using human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50088447BDBM50088447(CHEBI:223316 | (+)-Artemisinin)
Affinity DataKi:  4.60E+3nMAssay 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...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50418087BDBM50418087(CHEMBL1743351)
Affinity DataKi:  5.10E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by N-(3,5-dichloro-4-pyridyl)-3- (cyclopentoxy)-4- methoxybenzamide (DCMB) hydroxyla...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50310823BDBM50310823(bergamottin | CHEMBL1078442)
Affinity DataKi:  5.20E+3nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 82507BDBM82507(CAS_5967-73-7 | NSC_22266 | METHADONE | Methadone-...)
Affinity DataKi:  1.00E+4nMAssay Description:Inactivation of C-terminal His4-tagged human CYP2B6 lacking 21 N-terminal residues expressed in Escherichia coli C41 (DE3) assessed as decreases in f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 83449BDBM83449(cid_9795678 | PHENCYCLIDINE | SMR001338811 | Phenc...)
Affinity DataKi:  1.00E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50363928BDBM50363928(CHEMBL1951575)
Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate after 5 to 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50088490BDBM50088490(CHEMBL3526979)
Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate after 5 to 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50061117BDBM50061117(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol(C...)
Affinity DataKi:  3.90E+4nMAssay Description:Mixed inhibition of recombinant human CYP2B6 using coumarin as substrate preincubated with NADPH for 20 mins and measured after 30 min by Lineweaver-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCytochrome P450 2B6(Human)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50418086BDBM50418086(Thioplex | THIOTEPA)
Affinity DataKi:  5.00E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed