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 45 hits in this display   

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

LigandPNGBDBM11542((1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1...)
Affinity DataKi:  0.600nM ΔG°:  -52.1kJ/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
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of human DPP4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of human DPP4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of human DPP4 using Gly-Pro-AMC as substrate incubated for 30 mins by continuous fluorescent assayMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

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

LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50:  3nMAssay Description:Inhibition of human recombinant DPP4 by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50:  3.40nMAssay Description:Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50:  3.40nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

LigandPNGBDBM50489025(CHEMBL2298396)
Affinity DataIC50:  23nMAssay Description:Inhibition of dipeptidyl peptidase 4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50:  30nMAssay Description:Inhibition of human recombinant DPP-4 using H-Gly-Pro-AMC as substrate after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50:  50nMAssay Description:Inhibition of DPP4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetDipeptidyl peptidase 9(Homo sapiens (Human))
National Health Research Institutes

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50:  100nMAssay Description:Inhibition of DPP9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 9(Homo sapiens (Human))
National Health Research Institutes

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50:  104nMAssay Description:Inhibition of DPP9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 8(Homo sapiens (Human))
National Health Research Institutes

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50:  240nMAssay Description:Inhibition of DPP8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 8(Homo sapiens (Human))
National Health Research Institutes

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50:  244nMAssay Description:Inhibition of DPP8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcyl-protein thioesterase 1(Rattus norvegicus)
Peking University First Hospital

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of FAP (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 2(Homo sapiens (Human))
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of human DPP2 using Lys-Ala-AMC as substrate by fluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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 ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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 ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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 ArticlePubMedDrugBank

TargetCytochrome P450 2E1(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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 2D6(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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 2C19(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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 2C9(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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 2C8(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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 2B6(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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 2C19(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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 2C9(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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 2C8(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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 2B6(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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 3A4(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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 ArticlePubMedDrugBank

TargetCytochrome P450 1A2(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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 1A2(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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
TargetCytochrome P450 2A6(Homo sapiens (Human))
Bristol-Myers Squibb Research

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50: >5.00E+4nMAssay 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
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM11542((1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM11542((1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM11542((1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM11542((1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcyl-protein thioesterase 1(Rattus norvegicus)
Peking University First Hospital

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataIC50:  1.72E+6nMAssay Description:Inhibition of FAP in human U87MG cells using Suc-Gly-Pro-AMC as substrate by fluorescence based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataKd:  16nMAssay Description:Binding affinity to human recombinant DPP4 (39 to 766 residues) at 5 uM by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

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

LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)
Affinity DataKd:  0.300nMAssay Description:Binding affinity to human recombinant DPP4 (39 to 766 residues) by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank