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SMILES OCC(CO)NCc1[nH]c(=O)[nH]c(=O)c1I

InChI Key InChIKey=KHWSEDWCLNPYBR-UHFFFAOYSA-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 7 hits for monomerid = 50531732   

TargetThymidine phosphorylase(Homo sapiens (Human))
Universidade Federal do Pampa

Curated by ChEMBL
LigandPNGBDBM50531732(CHEMBL4455140)copy SMILEScopy InChI
Affinity DataIC50: 120nMAssay Description:Inhibition of recombinant human thymidine phosphorylase expressed in Escherichia coli Rosetta (DE3) cells using thymidine as substrate after 1 min by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8QHCPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Universidade Federal do Pampa

Curated by ChEMBL
LigandPNGBDBM50531732(CHEMBL4455140)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP3A4 in human liver microsomes by HPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8QHCPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Universidade Federal do Pampa

Curated by ChEMBL
LigandPNGBDBM50531732(CHEMBL4455140)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2C9 in human liver microsomes by HPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8QHCPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Universidade Federal do Pampa

Curated by ChEMBL
LigandPNGBDBM50531732(CHEMBL4455140)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP1A2 in human liver microsomes by HPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8QHCPubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
Universidade Federal do Pampa

Curated by ChEMBL
LigandPNGBDBM50531732(CHEMBL4455140)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2E1 in human liver microsomes by HPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8QHCPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Universidade Federal do Pampa

Curated by ChEMBL
LigandPNGBDBM50531732(CHEMBL4455140)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2C19 in human liver microsomes by HPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8QHCPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Universidade Federal do Pampa

Curated by ChEMBL
LigandPNGBDBM50531732(CHEMBL4455140)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2D6 in human liver microsomes by HPLC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FT8QHCPubMed