BindingDB PrimarySearch

BDBM50334594 2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)pyrimidin-4-ylamino)-N-methylbenzamide::2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE::2-[5-chloro-2-[2-methoxy-4-(4-morpholinyl)phenylamino]pyrimidin-4-ylamino]-N-methylbenzamide::CHEMBL458997::TAE226::US10266549, Example 12::US10774092, Example 12

SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCOCC2)ncc1Cl

InChI Key: InChIKey=UYJNQQDJUOUFQJ-UHFFFAOYSA-N

Data: 17 IC50

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50334594
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
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of pre-activated recombinant full length FAK (unknown origin) using ULight labeled poly(Glu/Tyr) as substrate after 1.6 hrs by TR-FRET ass...				Bioorg Med Chem Lett 23: 4552-6 (2013) Article DOI: 10.1016/j.bmcl.2013.06.038 BindingDB Entry DOI: 10.7270/Q2GM88RC
Universit£ Paris Descartes Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
VHL/Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
Cephalon, Inc Curated by ChEMBL					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of ALK by cell based assay				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
Cephalon, Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc Curated by ChEMBL					Assay Description Inhibition of insulin receptor				Bioorg Med Chem Lett 21: 463-6 (2010) Article DOI: 10.1016/j.bmcl.2010.10.115 BindingDB Entry DOI: 10.7270/Q27081QN
Cephalon, Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of recombinant insulin receptor (unknown origin)				J Med Chem 58: 237-51 (2015) Article DOI: 10.1021/jm500784e BindingDB Entry DOI: 10.7270/Q2B27WZC
Universit£ Paris Descartes Curated by ChEMBL					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay				J Med Chem 58: 237-51 (2015) Article DOI: 10.1021/jm500784e BindingDB Entry DOI: 10.7270/Q2B27WZC
Universit£ Paris Descartes Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FAK (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-013-0768-0 BindingDB Entry DOI: 10.7270/Q2XW4M8H
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Kasetsart University Curated by ChEMBL					Assay Description Inhibition of human AURKA				Eur J Med Chem 124: 896-905 (2016) Article DOI: 10.1016/j.ejmech.2016.08.055 BindingDB Entry DOI: 10.7270/Q2DF6T6Q
Kasetsart University Curated by ChEMBL					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay				Bioorg Med Chem Lett 27: 1727-1730 (2017) Article DOI: 10.1016/j.bmcl.2017.02.072 BindingDB Entry DOI: 10.7270/Q2ZC855F
Universit£ Paris Descartes Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
College of Pharmacy, Dalian Medical University, Dalian 116044, PR China. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Gl...				Bioorg Med Chem 25: 3989-3996 (2017) Article DOI: 10.1016/j.bmc.2017.05.044 BindingDB Entry DOI: 10.7270/Q2PN984W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase ULK1 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB KEGG GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences					Assay Description Gamma-32P assays to measure ULK1 kinase activity were performed as previously described. Briefly, Flag ULK1 was transfected into HEK293T cells and 20...				Bioorg Med Chem 16: 4963-83 (2008) BindingDB Entry DOI: 10.7270/Q2N30084
Berlex Biosciences					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged FAK cytoplasmic domain (393 to 698 residues) expressed in baculovirus infected sf9 cells assess...				Bioorg Med Chem 25: 6313-6321 (2017) Article DOI: 10.1016/j.bmc.2017.09.041 BindingDB Entry DOI: 10.7270/Q2F19298
Dalian Medical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal GST-tagged human FAK (327 to 1052 residues) expressed in baculovirus expression system using TK as substrate inc...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111716
Shenyang Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin)				Eur J Med Chem 177: 32-46 (2019) Article DOI: 10.1016/j.ejmech.2019.05.048
Peking University Health Science Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Gl...				Eur J Med Chem 172: 154-162 (2019) Article DOI: 10.1016/j.ejmech.2019.04.004
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase ULK1 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB KEGG GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	<200	n/a	n/a	n/a	n/a	n/a	n/a
SALK INSTITUTE FOR BIOLOGICAL STUDIES; SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INSTITUTE; YALE UNIVERSITY US Patent					Assay Description ULK1 inhibition assay is a screening assay to identify compounds that inhibit kinase activity of ULK1 using the ULKtide peptide. In some embodiments,...				US Patent US10774092 (2020)
					More data for this Ligand-Target Pair
VHL/Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
VHL/Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
VHL/PDGFRB (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Insulin-like growth factor I receptor (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
VHL/Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
IRE1α (Homo sapiens (Human))	BDBM50334594 (2-(5-chloro-2-(2-methoxy-4-morpholinophenylamino)p...) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	7.5	n/a
University of Washington					Assay Description Inhibitors (initial concentration 10 or 60 μM, three-fold serial dilutions) were incubated with IRE1α* in cleavage buffer (20 mM HEPES at p...				ACS Chem Biol 11: 2195-205 (2016) Article DOI: 10.1021/acschembio.5b00940 BindingDB Entry DOI: 10.7270/Q2ZK5FGQ
University of Washington					More data for this Ligand-Target Pair