null

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

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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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...)copy SMILEScopy InChI
Affinity DataKi:  0.600nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DR2WGQPubMedDrugBank
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)copy SMILEScopy InChI
Affinity DataKi:  0.600nMAssay Description:Inhibition of human DPP4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VD70DJPubMedDrugBank
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)copy SMILEScopy InChI
Affinity DataKi:  0.600nMAssay Description:Inhibition of human DPP4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2B56JGMPubMedDrugBank
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMedDrugBank
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMedDrugBank
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMedDrugBank
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMedDrugBank
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of human recombinant DPP4 by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2571C1ZPubMedDrugBank
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...)copy SMILEScopy InChI
Affinity DataIC50: 240nMAssay Description:Inhibition of DPP8More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29Z953WPubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)copy SMILEScopy InChI
Affinity DataIC50: 3.40nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29Z953WPubMedDrugBank
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...)copy SMILEScopy InChI
Affinity DataIC50: 100nMAssay Description:Inhibition of DPP9More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29Z953WPubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)copy SMILEScopy InChI
Affinity DataIC50: 0.600nMAssay Description:Inhibition of DPP4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G73F37PubMedDrugBank
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2FX7BJXPubMedDrugBank
TargetDipeptidyl peptidase 2(Homo sapiens (Human))
Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2FX7BJXPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 104nMAssay Description:Inhibition of DPP9More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FX7BJXPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 244nMAssay Description:Inhibition of DPP8More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FX7BJXPubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2KP8537PubMedDrugBank
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2WW7N6VPubMedDrugBank
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2WW7N6VPubMedDrugBank
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2N87FC7PubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of FAP (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N87FC7PubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)copy SMILEScopy InChI
Affinity DataIC50: 1.5nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2251P86PubMedDrugBank
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50225074((1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1...)copy SMILEScopy InChI
Affinity DataIC50: 50nMAssay Description:Inhibition of DPP4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TB18F1PubMedDrugBank
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q27D2WVNPubMed