BDBM50225074 (1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1-yl)-acetyl]-2-aza-bicyclo[3.1.0]hexane-3-carbonitrile::(1S,6S)-2-(2-adamantan-1-yl-2-amino-acetyl)-2-aza-bicyclo[3.1.0]hexane-3-carbonitrile::BMS-477118::CHEMBL385517::SAXAGLIPTIN

SMILES N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2

InChI Key InChIKey=QGJUIPDUBHWZPV-SGTAVMJGSA-N

Data  3 KI  34 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 50225074   

TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
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))
Sichuan University

Curated by ChEMBL
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))
Sichuan University

Curated by ChEMBL
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

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 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 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 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 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 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 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 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 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 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 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 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 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

TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
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 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 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
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 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 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
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))
Sichuan University

Curated by ChEMBL
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 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
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:  244nMAssay Description:Inhibition of DPP8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
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))
Sichuan University

Curated by ChEMBL
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))
Sichuan University

Curated by ChEMBL
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

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
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
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
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
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))
Sichuan University

Curated by ChEMBL
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

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