Compile Data Set for Download or QSAR
Report error Found 36 Enz. Inhib. hit(s) with all data for entry = 50046240
TargetCytochrome P450 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50240850(phenethylisothiocyanate | Phenethyl isothiocyanate...)
Affinity DataKd:  430nMAssay Description:Binding affinity to CYP2A13 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50024210(1H-indole-3-ethanamine | CHEMBL6640 | 2-(3-indolyl...)
Affinity DataKd:  5.20E+3nMAssay Description:Binding affinity to CYP2A13 (unknown origin) assessed as type 2 interaction as increase in absorbance 431 to 432 nm and decrease in 406 to 412 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50101991(CHEBI:6750 | CHEMBL3526658)
Affinity DataKd:  4.50E+3nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50240772((1R,2S)-2-phenylcyclopropanamine | cid_2723716 | (...)
Affinity DataKd:  2.30E+3nMAssay Description:Binding affinity to CYP2A13 (unknown origin) assessed as type 2 interaction as increase in absorbance 431 to 432 nm and decrease in 406 to 412 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50041234(9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...)
Affinity DataKd:  1.10E+4nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50024210(1H-indole-3-ethanamine | CHEMBL6640 | 2-(3-indolyl...)
Affinity DataKd:  2.30E+3nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 2 interaction as increase in absorbance 431 to 432 nm and decrease in 406 to 412 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataKd:  5.40E+4nMAssay Description:Binding affinity to CYP2A13 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM109750(US8609708, 19 β-Nicotyrine | US8609708, 19 be...)
Affinity DataKd:  7.10E+4nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50008072((3S-cis)-3-ethyldihydro-4-[(1-methyl-1H-imidazol-5...)
Affinity DataKd:  3.00E+3nMAssay Description:Binding affinity to CYP2A13 (unknown origin) assessed as type 2 interaction as increase in absorbance 431 to 432 nm and decrease in 406 to 412 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataKd:  4.70E+5nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50240772((1R,2S)-2-phenylcyclopropanamine | cid_2723716 | (...)
Affinity DataKd:  2.00E+3nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 2 interaction as increase in absorbance 431 to 432 nm and decrease in 406 to 412 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50008072((3S-cis)-3-ethyldihydro-4-[(1-methyl-1H-imidazol-5...)
Affinity DataKd:  3.60E+3nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 2 interaction as increase in absorbance 431 to 432 nm and decrease in 406 to 412 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50101991(CHEBI:6750 | CHEMBL3526658)
Affinity DataKd:  580nMAssay Description:Binding affinity to CYP2A13 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50240850(phenethylisothiocyanate | Phenethyl isothiocyanate...)
Affinity DataKd:  6.20E+3nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50041234(9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...)
Affinity DataKd:  1.60E+3nMAssay Description:Binding affinity to CYP2A13 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50101990(CHEMBL3188333)
Affinity DataKd:  650nMAssay Description:Binding affinity to CYP2A13 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50101990(CHEMBL3188333)
Affinity DataKd:  680nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM109750(US8609708, 19 β-Nicotyrine | US8609708, 19 be...)
Affinity DataKd:  8.20E+3nMAssay Description:Binding affinity to CYP2A13 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50041234(9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...)
Affinity DataKi:  40nMAssay Description:Mixed inhibition of CYP2A13 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2A6(Human)
University of Kansas

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)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50041234(9-methoxy-7H-furo[3,2-g]chromen-7-one | CHEMBL416 ...)
Affinity DataKi:  250nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50008072((3S-cis)-3-ethyldihydro-4-[(1-methyl-1H-imidazol-5...)
Affinity DataKi:  1.40E+3nMAssay Description:Competitive inhibition of CYP2A13 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50240850(phenethylisothiocyanate | Phenethyl isothiocyanate...)
Affinity DataKi:  1.70E+3nMAssay 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)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50024210(1H-indole-3-ethanamine | CHEMBL6640 | 2-(3-indolyl...)
Affinity DataKi:  1.70E+3nMAssay Description:Competitive 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)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50101991(CHEBI:6750 | CHEMBL3526658)
Affinity DataKi:  2.00E+3nMAssay 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)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50008072((3S-cis)-3-ethyldihydro-4-[(1-methyl-1H-imidazol-5...)
Affinity DataKi:  3.00E+3nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2A6(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50101990(CHEMBL3188333)
Affinity DataKi:  3.60E+3nMAssay 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 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50240850(phenethylisothiocyanate | Phenethyl isothiocyanate...)
Affinity DataKi:  3.80E+3nMAssay Description:Mixed inhibition of CYP2A13 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM109750(US8609708, 19 β-Nicotyrine | US8609708, 19 be...)
Affinity DataKi:  5.60E+3nMAssay Description:Mixed inhibition of CYP2A13 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50240772((1R,2S)-2-phenylcyclopropanamine | cid_2723716 | (...)
Affinity DataKi:  6.50E+3nMAssay Description:Competitive inhibition of CYP2A13 (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)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM109750(US8609708, 19 β-Nicotyrine | US8609708, 19 be...)
Affinity DataKi:  7.50E+3nMAssay 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 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50024210(1H-indole-3-ethanamine | CHEMBL6640 | 2-(3-indolyl...)
Affinity DataKi:  1.60E+4nMAssay Description:Competitive inhibition of CYP2A13 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50101990(CHEMBL3188333)
Affinity DataKi:  1.70E+4nMAssay Description:Mixed inhibition of CYP2A13 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50101991(CHEBI:6750 | CHEMBL3526658)
Affinity DataKi:  5.40E+4nMAssay Description:Mixed inhibition of CYP2A13 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A13(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataKi:  7.20E+4nMAssay Description:Competitive inhibition of CYP2A13 (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)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Affinity DataKi:  1.30E+5nMAssay Description:Competitive inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2016
Entry Details Article
PubMed