null

SMILES COCCCN(CC(=O)N[C@@H](CC(O)=O)c1ccccc1)C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1

InChI Key InChIKey=CLEAZBBIJLPKIP-MHZLTWQESA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50106082   

TargetIntegrin alpha-4/beta-7(Homo sapiens (Human))
Novartis Institute for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50106082((S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-urei...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by alpha4-beta7 integrinMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q20001CZPubMed
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
Novartis Institute for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50106082((S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-urei...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of fluorescent Ramos cell adhesion to fibronectin by Very late antigen 5 (VLA-5)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q20001CZPubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Novartis Institute for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50106082((S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-urei...)copy SMILEScopy InChI
Affinity DataIC50: 12nMAssay Description:In vitro Very late antigen 4 cell adhesion inhibitory activity measured by binding of fluorescently labeled Ramos cells to immobilized VCAM-1.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q20001CZPubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Novartis Institute for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50106082((S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-urei...)copy SMILEScopy InChI
Affinity DataIC50: 22nMAssay Description:Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by mouse Very late antigen 4 (VLA-4) integrinMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q20001CZPubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Novartis Institute for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50106082((S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-urei...)copy SMILEScopy InChI
Affinity DataIC50: 14nMAssay Description:Inhibition of fluorescent Ramos cell adhesion to fibronectin by Very late antigen 4 (VLA-4)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q20001CZPubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Novartis Institute for Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50106082((S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-urei...)copy SMILEScopy InChI
Affinity DataIC50: 25nMAssay Description:Inhibition of fluorescent Ramos cell adhesion to VCAM-1 by rat Very late antigen 4 (VLA-4) integrinMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q20001CZPubMed