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TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50499777(CHEMBL3740883)
Affinity DataKi:  0.0570nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50499784(CHEMBL3740902)
Affinity DataKi:  1.5nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50499772(CHEMBL3741757)
Affinity DataKi:  1.70nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50499773(CHEMBL3739596)
Affinity DataKi:  1.90nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50499774(CHEMBL3742383)
Affinity DataKi:  2.60nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50499783(CHEMBL3742224)
Affinity DataKi:  2.60nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50499782(CHEMBL3741819)
Affinity DataKi:  2.70nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50499775(CHEMBL3740871)
Affinity DataKi:  3.10nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50499780(CHEMBL3740860)
Affinity DataKi:  3.30nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50499776(CHEMBL3740335)
Affinity DataKi:  3.40nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50499781(CHEMBL3742302)
Affinity DataKi:  6nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50342656(benzo[b]thiophen-2-ylmethanamine | CHEMBL1770735)
Affinity DataKi:  10nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50613945(CHEMBL5289073)
Affinity DataKi:  10nMAssay Description:Competitive inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50499786(CHEMBL3740529)
Affinity DataKi:  11nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50499779(CHEMBL3739672)
Affinity DataKi:  13nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50499785(CHEMBL3739579)
Affinity DataKi:  13nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50499778(CHEMBL3740695)
Affinity DataKi:  17nMAssay Description:Inhibition of human microsomal CYP2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50366426(CHEMBL4161819)
Affinity DataIC50: 17nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM109760(US8609708, 44)
Affinity DataIC50: 20nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
US Patent

TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM12341(US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...)
Affinity DataKi:  20nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50613946(CHEMBL450963 | 5-Allyloxycoumarin)
Affinity DataKi:  30nMAssay Description:Competitive inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM12345(US8609708, 2 | [5-(pyridin-3-yl)furan-2-yl]methana...)
Affinity DataKi:  40nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50613945(CHEMBL5289073)
Affinity DataIC50: 40nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50366379(CHEMBL4165249)
Affinity DataIC50: 42nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50037779(CHEMBL3358215)
Affinity DataIC50: 50nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate incubated for 30 mins prior to substrate addition...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50358746(CHEMBL596015)
Affinity DataIC50: 50nMAssay Description:Inhibition of CYP2A6 in human liver microsomes assessed as inhibition of coumarin 7-hydroxylation after 30 mins preincubation by plate readerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50613946(CHEMBL450963 | 5-Allyloxycoumarin)
Affinity DataIC50: 50nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50613944(CHEMBL502746)
Affinity DataKi:  50nMAssay Description:Mixed type inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50366334(CHEMBL4173133)
Affinity DataIC50: 51nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50366391(CHEMBL4173088)
Affinity DataIC50: 55nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50037776(CHEMBL3358193)
Affinity DataKi:  60nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50037779(CHEMBL3358215)
Affinity DataKi:  70nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50037778(CHEMBL3358192)
Affinity DataKi:  70nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50037782(CHEMBL3358223)
Affinity DataKi:  70nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50366411(CHEMBL4160749)
Affinity DataIC50: 76nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM12341(US8609708, 31 | CHEMBL359657 | US8609708, 1 | CHEM...)
Affinity DataKi:  80nM ΔG°:  -42.1kJ/molepH: 7.5 T: 2°CAssay Description:To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2006
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50113851(Tranylcypromine,(+) | TRANYLCYPROMINE | US8609708,...)
Affinity DataIC50: 80nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
US Patent

TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50613947(CHEMBL448936)
Affinity DataKi:  80nMAssay Description:Competitive inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50037774(CHEMBL3358194)
Affinity DataKi:  90nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM12348(US8609708, 3 | 3-(pyridin-3-yl)prop-2-yn-1-amine |...)
Affinity DataKi:  90nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50041234(9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...)
Affinity DataKi:  90nMAssay Description:Mixed type inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50342656(benzo[b]thiophen-2-ylmethanamine | CHEMBL1770735)
Affinity DataIC50: 100nMAssay Description:Inhibition of CYP2A6 in human liver microsomes assessed as inhibition of coumarin 7-hydroxylation after 10 mins by plate readerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50037780(CHEMBL3358216)
Affinity DataKi:  100nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM12345(US8609708, 2 | [5-(pyridin-3-yl)furan-2-yl]methana...)
Affinity DataKi:  100nM ΔG°:  -41.6kJ/molepH: 7.5 T: 2°CAssay Description:To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2006
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50342656(benzo[b]thiophen-2-ylmethanamine | CHEMBL1770735)
Affinity DataIC50: 100nMAssay Description:Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM12351(US8609708, 4 | CHEMBL179669 | 3-(3-methylthiophen-...)
Affinity DataKi:  100nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50366407(CHEMBL4169324)
Affinity DataIC50: 110nMAssay Description:Inhibition of CYP2A6 in human liver microsomes using coumarin as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50037716(CHEMBL3358202)
Affinity DataKi:  130nMAssay Description:Irreversible inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate incubated for 10 mins by fluorescenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50240772((1R,2S)-2-phenylcyclopropanamine | cid_2723716 | (...)
Affinity DataKi:  130nMAssay Description:Mixed inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
National Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50613944(CHEMBL502746)
Affinity DataIC50: 130nMAssay Description:Inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
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