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
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 39 hits for monomerid = 50225074
Affinity DataKi: 0.600nMAssay Description:Inhibition of human DPP4More data for this Ligand-Target Pair
Affinity DataKi: 0.600nMAssay Description:Inhibition of human DPP4More data for this Ligand-Target Pair
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Affinity DataIC50: 3nMAssay Description:Inhibition of human recombinant DPP4 by fluorescence assayMore data for this Ligand-Target Pair
TargetDipeptidyl peptidase 8(Homo sapiens (Human))
National Health Research Institutes
Curated by ChEMBL
National Health Research Institutes
Curated by ChEMBL
TargetDipeptidyl peptidase 9(Homo sapiens (Human))
National Health Research Institutes
Curated by ChEMBL
National Health Research Institutes
Curated by ChEMBL
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
TargetDipeptidyl peptidase 2(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
Dainippon Sumitomo Pharma Co., Ltd
Curated by ChEMBL
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
TargetDipeptidyl peptidase 9(Homo sapiens (Human))
National Health Research Institutes
Curated by ChEMBL
National Health Research Institutes
Curated by ChEMBL
TargetDipeptidyl peptidase 8(Homo sapiens (Human))
National Health Research Institutes
Curated by ChEMBL
National Health Research Institutes
Curated by ChEMBL
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
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
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
TargetAcyl-protein thioesterase 1(Rattus norvegicus)
Peking University First Hospital
Curated by ChEMBL
Peking University First Hospital
Curated by ChEMBL
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
TargetAcyl-protein thioesterase 1(Rattus norvegicus)
Peking University First Hospital
Curated by ChEMBL
Peking University First Hospital
Curated by ChEMBL
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of FAP (unknown origin)More data for this Ligand-Target Pair
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
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
Affinity DataIC50: 50nMAssay Description:Inhibition of DPP4 (unknown origin)More data for this Ligand-Target Pair
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