BindingDB PrimarySearch

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: 19 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 317462
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, LLC US Patent					Assay Description The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...				US Patent US9623028 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34R8
Signal Pharmaceuticals, LLC US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of TTK in human CAL51 cells assessed as decrease in phosphorylated TTK T686 levels after 1 hr by Western blot analysis				J Med Chem 62: 4401-4410 (2019) Article DOI: 10.1021/acs.jmedchem.8b01869
Celgene Corporation Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	8.17	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, LLC US Patent					Assay Description The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...				US Patent US9623028 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34R8
Signal Pharmaceuticals, LLC US Patent					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	728	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, LLC US Patent					Assay Description The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...				US Patent US9623028 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34R8
Signal Pharmaceuticals, LLC US Patent					More data for this Ligand-Target Pair
Phosphatidylinositol-5-phosphate 4-kinase type-2 gamma (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of PIP4K2C in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to control				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
Celgene Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of human GST-tagged CLK1 expressed in Escherichia coli by Z'-LYTE assay				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
Celgene Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length human recombinant GST-tagged DYRK1B expressed in baculovirus by Z'-LYTE assay				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
Celgene Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphorylase kinase (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PHKG1 expressed in baculovirus by Z'-LYTE assay				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
Celgene Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 3 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of human full length recombinant GST-tagged DYRK3 expressed in baculovirus by Z'-LYTE assay				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
Celgene Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of human GST-tagged CLK2 expressed in baculovirus by Z'-LYTE assay				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
Celgene Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of TTK phosphorylation at T686 residue in human CAL51 cells after 1 hr by Western blot analysis				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
Celgene Corporation Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcium/calmodulin-dependent protein kinase kinase 2 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of CAMKK2 in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to control				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
Celgene Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged DYRK1A expressed in baculovirus by Z'-LYTE assay				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
Celgene Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
c-Jun N-terminal kinase, JNK (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of JNK1/JNK2/JNK3 in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to control				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
Celgene Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of CLK2 in human HCT116 cell lysate after 1 hr by LC-MS/MS analysis relative to control				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
Celgene Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
Celgene Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase TTK (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of human full length recombinant GST-tagged TTK expressed in baculovirus by LanthaScreen Eu kinase binding assay				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
Celgene Corporation Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	549	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of CLK2 in human CAL51 cells assessed as reduction in phosphorylation of SRp75 after 1 hr by Western blot analysis				J Med Chem 60: 8989-9002 (2017) Article DOI: 10.1021/acs.jmedchem.7b01223 BindingDB Entry DOI: 10.7270/Q2GF0WX9
Celgene Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificty protein kinase CLK1 (Homo sapiens (Human))	BDBM317462 (4-(4-(cyclopentyloxy)-5-(2- methylbenzo[d]oxazol-6...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	267	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, LLC US Patent					Assay Description The kinase activity is measured using a radioactivity based kinase assay, which measures the incorporation of a radioactively labeled phosphate moiet...				US Patent US9623028 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34R8
Signal Pharmaceuticals, LLC US Patent					More data for this Ligand-Target Pair