BDBM317462 4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6-yl)-7H- pyrrolo[2,3-d]pyrimidin-2- ylamino)-3-methoxy-N- methylbenzamide::US9623028, Compound 38

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

InChI Key InChIKey=CWJLAVRXVFHDSJ-UHFFFAOYSA-N

Data  25 IC50

PDB links: 1 PDB ID matches this monomer.

  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 25 hits for monomerid = 317462   

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

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Affinity DataIC50:  5nMAssay Description:Inhibition of human TTKMore data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
Signal Pharmaceuticals

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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 US Patent
TargetCalcium/calmodulin-dependent protein kinase kinase 2(Homo sapiens (Human))
Signal Pharmaceuticals

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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 US Patent
TargetPhosphatidylinositol 5-phosphate 4-kinase type-2 gamma(Homo sapiens (Human))
Celgene

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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 ArticlePubMed
TargetDual specificity protein kinase CLK1(Homo sapiens (Human))
Celgene

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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 ArticlePubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1B(Homo sapiens (Human))
Celgene

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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 ArticlePubMed
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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 ArticlePubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 3(Homo sapiens (Human))
Celgene

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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 ArticlePubMed
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
Signal Pharmaceuticals

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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 ArticlePubMed
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Signal Pharmaceuticals

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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 ArticlePubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 1A(Homo sapiens (Human))
Celgene

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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 ArticlePubMed
TargetMitogen-activated protein kinase 10/8/9(Homo sapiens (Human))
Celgene

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Affinity DataIC50:  1.30E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
Signal Pharmaceuticals

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Affinity DataIC50:  15nMAssay 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 ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Celgene

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Affinity DataIC50: >3.30E+4nMAssay 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 ArticlePubMed
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Signal Pharmaceuticals

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Affinity DataIC50:  5nMAssay 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
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
Signal Pharmaceuticals

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Affinity DataIC50:  549nMAssay 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
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Signal Pharmaceuticals

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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 ArticlePubMed
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
Signal Pharmaceuticals

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Affinity DataIC50:  6.30nMAssay Description:Inhibition of CLK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Signal Pharmaceuticals

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Affinity DataIC50:  5nMAssay Description:Inhibition of TTK (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity protein kinase CLK1(Homo sapiens (Human))
Celgene

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Affinity DataIC50:  300nMAssay Description:Inhibition of human CLK1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetDual specificity protein kinase CLK2(Homo sapiens (Human))
Signal Pharmaceuticals

US Patent
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
Affinity DataIC50:  6.30nMAssay Description:Inhibition of human CLK2More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetDual specificity protein kinase CLK1(Homo sapiens (Human))
Celgene

Curated by ChEMBL
LigandPNGBDBM317462(4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...)
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 US Patent