null

SMILES CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1

InChI Key InChIKey=CWJLAVRXVFHDSJ-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  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 25 hits for monomerid = 317462   

TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Signal Pharmaceuticals, LLC

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 14nMAssay Description:The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Signal Pharmaceuticals, LLC

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
Signal Pharmaceuticals, LLC

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 8.17nMAssay Description:The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VQ34R8US Patent
TargetCalcium/calmodulin-dependent protein kinase kinase 2(Homo sapiens (Human))
Signal Pharmaceuticals, LLC

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 728nMAssay Description:The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VQ34R8US Patent
TargetPhosphatidylinositol 5-phosphate 4-kinase type-2 gamma(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of PIP4K2C in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to controlMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0WX9PubMed
TargetDual specificity protein kinase CLK1(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay Description:Inhibition of human GST-tagged CLK1 expressed in Escherichia coli by Z'-LYTE assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0WX9PubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1B(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 157nMAssay Description:Inhibition of full length human recombinant GST-tagged DYRK1B expressed in baculovirus by Z'-LYTE assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0WX9PubMed
TargetPhosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 136nMAssay Description:Inhibition of full length human GST-tagged PHKG1 expressed in baculovirus by Z'-LYTE assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0WX9PubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 3(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 99nMAssay Description:Inhibition of human full length recombinant GST-tagged DYRK3 expressed in baculovirus by Z'-LYTE assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0WX9PubMed
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
Signal Pharmaceuticals, LLC

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 6nMAssay Description:Inhibition of human GST-tagged CLK2 expressed in baculovirus by Z'-LYTE assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0WX9PubMed
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Signal Pharmaceuticals, LLC

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 57nMAssay Description:Inhibition of TTK phosphorylation at T686 residue in human CAL51 cells after 1 hr by Western blot analysisMore data for this Ligand-Target Pair
TargetCalcium/calmodulin-dependent protein kinase kinase 2(Homo sapiens (Human))
Signal Pharmaceuticals, LLC

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 680nMAssay Description:Inhibition of CAMKK2 in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to controlMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0WX9PubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 104nMAssay Description:Inhibition of human full length GST-tagged DYRK1A expressed in baculovirus by Z'-LYTE assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0WX9PubMed
TargetMitogen-activated protein kinase 10/8/9(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of JNK1/JNK2/JNK3 in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to controlMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0WX9PubMed
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
Signal Pharmaceuticals, LLC

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 15nMAssay Description:Inhibition of CLK2 in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to controlMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0WX9PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 3.30E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0WX9PubMed
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Signal Pharmaceuticals, LLC

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Inhibition of human full length recombinant GST-tagged TTK expressed in baculovirus by LanthaScreen Eu kinase binding assayMore data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
Signal Pharmaceuticals, LLC

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 549nMAssay Description:Inhibition of CLK2 in human CAL51 cells assessed as reduction in phosphorylation of SRp75 after 1 hr by Western blot analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GF0WX9PubMed
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Signal Pharmaceuticals, LLC

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 57nMAssay Description:Inhibition of TTK in human CAL51 cells assessed as decrease in phosphorylated TTK T686 levels after 1 hr by Western blot analysisMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))TBA
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 280nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using ketoconazole as substrate incubated for 5 mins in presence of NADPH by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25T3QC6PubMed
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
Signal Pharmaceuticals, LLC

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 6.30nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25B06FXPubMed
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Signal Pharmaceuticals, LLC

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
TargetDual specificity protein kinase CLK1(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 300nMMore data for this Ligand-Target Pair
In DepthDetails
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
Signal Pharmaceuticals, LLC

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 6.30nMMore data for this Ligand-Target Pair
In DepthDetails
TargetDual specificity protein kinase CLK1(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)copy SMILEScopy InChI
Affinity DataIC50: 267nMAssay Description:The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VQ34R8US Patent