BDBM350085 3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isoxazol-5-yl]-5-(4-isopropylsulfonylphenyl)pyrazin-2-amine ::BDBM50226746::US10208027, Compound II-1::US10208027, Compound II-2::US10208027, Compound II-3::US10208027, Compound II-4::US10479784, Compound IIA-7::US10822331, Cmpd II-4::US10961232, Compound IIA-7::US11787781, Compound A
SMILES CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
InChI Key InChIKey=JZCWLJDSIRUGIN-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 40 hits for monomerid = 350085
Affinity DataKi: 0.148nMAssay Description:Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixt...More data for this Ligand-Target Pair
Affinity DataKi: 0.148nMAssay Description:Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixt...More data for this Ligand-Target Pair
Affinity DataKi: 0.165nMAssay Description:Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR expressed in HEK293T cells using ASELPASQPQPFSAKKK peptide as substrat...More data for this Ligand-Target Pair
Affinity DataKi: 0.200nMAssay Description:Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixt...More data for this Ligand-Target Pair
Affinity DataKi: 0.200nMAssay Description:Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixt...More data for this Ligand-Target Pair
Affinity DataKi: <1nMAssay Description:Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixt...More data for this Ligand-Target Pair
Affinity DataKi: <1nMAssay Description:Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixt...More data for this Ligand-Target Pair
Affinity DataKi: <1nMAssay Description:Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixt...More data for this Ligand-Target Pair
Affinity DataKi: <1nMAssay Description:Compounds can be screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays are carried out in a mixt...More data for this Ligand-Target Pair
TargetVascular endothelial growth factor receptor 3(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataKi: 8nMAssay Description:ATP competitive inhibition of human Flt4More data for this Ligand-Target Pair
Affinity DataKi: <10nMAssay Description:Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...More data for this Ligand-Target Pair
Affinity DataKi: <10nMAssay Description:Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 9(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataKi: 15nMAssay Description:ATP competitive inhibition of human MLK1More data for this Ligand-Target Pair
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataKi: 18nMAssay Description:ATP competitive inhibition of human Flt3 D835Y mutantMore data for this Ligand-Target Pair
TargetDual specificity tyrosine-phosphorylation-regulated kinase 2(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataKi: 26nMAssay Description:ATP competitive inhibition of human DYRK2More data for this Ligand-Target Pair
TargetTyrosine-protein kinase Mer(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataKi: 30nMAssay Description:ATP competitive inhibition of human MerMore data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 alpha(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataKi: 33nMAssay Description:ATP competitive inhibition of human GSK3alphaMore data for this Ligand-Target Pair
TargetMast/stem cell growth factor receptor Kit(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataKi: 39nMAssay Description:ATP competitive inhibition of human c-Kit D816H mutantMore data for this Ligand-Target Pair
TargetSerine-protein kinase ATM(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataKi: 44nMAssay Description:Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide as substrate measured after 24 hrs in presence of [gamma-33P] ATP by ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL1(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataKi: 59nMAssay Description:ATP competitive inhibition of human ABL T315I mutantMore data for this Ligand-Target Pair
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataKi: 130nMAssay Description:Inhibition of human Flt3More data for this Ligand-Target Pair
TargetPhosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataKi: 140nMAssay Description:Inhibition of human PI3K p110alpha/p85alphaMore data for this Ligand-Target Pair
TargetGlycogen synthase kinase-3 beta(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataKi: 140nMAssay Description:Inhibition of human GSK3betaMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataKi: 150nMAssay Description:Inhibition of human JAK2More data for this Ligand-Target Pair
TargetTyrosine-protein kinase SYK(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataKi: 190nMAssay Description:Inhibition of human SYKMore data for this Ligand-Target Pair
TargetDNA-dependent protein kinase catalytic subunit(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataKi: >4.00E+3nMAssay Description:Inhibition of purified recombinant human full-length DNA-PK using EPPLSQEAFADLWKKK peptide as substrate measured after 2 hrs in presence of [gamma-33...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Maastricht University Medical Centre
Curated by ChEMBL
Maastricht University Medical Centre
Curated by ChEMBL
Affinity DataKi: >5.00E+4nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 1 after 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Maastricht University Medical Centre
Curated by ChEMBL
Maastricht University Medical Centre
Curated by ChEMBL
Affinity DataKi: >5.00E+4nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 9 after 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Maastricht University Medical Centre
Curated by ChEMBL
Maastricht University Medical Centre
Curated by ChEMBL
Affinity DataKi: >5.00E+4nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Maastricht University Medical Centre
Curated by ChEMBL
Maastricht University Medical Centre
Curated by ChEMBL
Affinity DataKi: >5.00E+4nMAssay Description:Binding affinity to recombinant human carbonic anhydrase 12 after 15 mins by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 19nMAssay Description:Inhibition of ATR in human HCT116 cells assessed as reduction in histone H2AX phosphorylation by Hoechst staining-based immunofluorescence microscopi...More data for this Ligand-Target Pair
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 9nMAssay Description:Inhibition of human recombinant full length ATR using GST-cMyc-p53 as substrate incubated for 40 mins in presence of ATP by HTRF assayMore data for this Ligand-Target Pair
Affinity DataIC50: 19nMAssay Description:Inhibition of ATR (unknown origin)More data for this Ligand-Target Pair
TargetAlpha-1-antitrypsin-related protein(Homo sapiens)
Centro De Investigaciones Biol�Gicas Margarita Salas (Csic)
Curated by ChEMBL
Centro De Investigaciones Biol�Gicas Margarita Salas (Csic)
Curated by ChEMBL
Affinity DataIC50: 0.200nMAssay Description:Binding affinity to ATR (unknown origin)More data for this Ligand-Target Pair
TargetSerine-protein kinase ATM(Homo sapiens (Human))
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Vertex Pharmaceuticals (Europe)
Curated by ChEMBL
Affinity DataIC50: 42nMAssay Description:Estimated IC50 values are as follows (obtained using STANDARD KINASEPROFILER).More data for this Ligand-Target Pair
Affinity DataIC50: 15nMAssay Description:Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammalian cell line co-expressing human recombinant cMyc-tagged full length ...More data for this Ligand-Target Pair