Compile Data Set for Download or QSAR
maximum 50k data

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 21 hits in this display   

TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataKi:  2.10nM ΔG°:  -49.0kJ/molepH: 7.4 T: 2°CAssay Description:Inhibition of human DPP-IV activity was measured under steady-state conditions by following the absorbance increase at 405 nm upon the substrate clea...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP2A6 in human liver microsomes assessed as coumarin 7-hydroxylation after 3 mins by LC-MS/MS analysis in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP2B6 in human liver microsomes assessed as bupropion hydroxylation after 3 mins by LC-MS/MS analysis in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6alpha-hydroxylation after 3 mins by LC-MS/MS analysis in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP2C9 in human liver microsomes assessed as paclitaxel 6alpha-hydroxylation after 3 mins by LC-MS/MS analysis in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP2C19 in human liver microsomes assessed as (S)-mephenytoin 4'-hydroxylation after 3 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP2D6 in human liver microsomes assessed as bufuralol 1'-hydroxylation after 3 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP2E1 in human liver microsomes assessed as chlorzoxazone 6-hydroxylation after 3 mins by LC-MS/MS analysis in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as midazolam 1'-hydroxylation after 3 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylation after 3 mins by LC-MS/MS analysis in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation preincubated for 15 mins by LC-MS/MS analysis in presence of NAD...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP2A6 in human liver microsomes assessed as coumarin 7-hydroxylation preincubated for 15 mins by LC-MS/MS analysis in presence of NADP...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP2B6 in human liver microsomes assessed as bupropion hydroxylation preincubated for 15 mins by LC-MS/MS analysis in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP2C8 in human liver microsomes assessed as paclitaxel 6alpha-hydroxylation preincubated for 15 mins by LC-MS/MS analysis in presence ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP2C9 in human liver microsomes assessed as paclitaxel 6alpha-hydroxylation preincubated for 15 mins by LC-MS/MS analysis in presence ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP2C19 in human liver microsomes assessed as (S)-mephenytoin 4'-hydroxylation preincubated for 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP2D6 in human liver microsomes assessed as bufuralol 1'-hydroxylation preincubated for 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP2E1 in human liver microsomes assessed as chlorzoxazone 6-hydroxylation preincubated for 15 mins by LC-MS/MS analysis in presence of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as midazolam 1'-hydroxylation preincubated for 15 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylation preincubated for 15 mins by LC-MS/MS analysis in presence...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM11543((1S,3S,5S)-2-[(2S)-2-amino-2-(3,5-dihydroxyadamant...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation after 3 mins by LC-MS/MS analysis in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed