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

Data  30 KI  10 IC50

  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 40 hits for monomerid = 350085   

TargetCytochrome P450 3A4(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetSerine-protein kinase ATM(Human)
Celator Pharmaceuticals

US Patent
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataIC50: 42nMAssay Description:Estimated IC50 values are as follows (obtained using STANDARD KINASEPROFILER).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/29/2023
Entry Details
Go to US Patent

TargetAlpha-1-antitrypsin-related protein(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataIC50: 0.200nMAssay Description:Binding affinity to ATR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataIC50: 19nMAssay Description:Inhibition of ATR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
9/21/2019
Entry Details
Go to US Patent

TargetSerine/threonine-protein kinase ATR(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
6/21/2021
Entry Details
Go to US Patent

TargetSerine/threonine-protein kinase ATR(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
6/21/2021
Entry Details
Go to US Patent

TargetSerine/threonine-protein kinase ATR(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
9/21/2019
Entry Details
Go to US Patent

TargetSerine/threonine-protein kinase ATR(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
9/21/2019
Entry Details
Go to US Patent

TargetSerine/threonine-protein kinase ATR(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
9/21/2019
Entry Details
Go to US Patent

TargetSerine/threonine-protein kinase ATR(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
6/21/2021
Entry Details
Go to US Patent

TargetSerine/threonine-protein kinase ATR(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
6/21/2021
Entry Details
Go to US Patent

TargetVascular endothelial growth factor receptor 3(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataKi:  8nMAssay Description:ATP competitive inhibition of human Flt4More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetSerine/threonine-protein kinase ATR(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
10/4/2021
Entry Details
Go to US Patent

TargetSerine/threonine-protein kinase ATR(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
9/25/2020
Entry Details
Go to US Patent

TargetMitogen-activated protein kinase kinase kinase 9(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataKi:  15nMAssay Description:ATP competitive inhibition of human MLK1More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataKi:  18nMAssay Description:ATP competitive inhibition of human Flt3 D835Y mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetDual specificity tyrosine-phosphorylation-regulated kinase 2(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataKi:  26nMAssay Description:ATP competitive inhibition of human DYRK2More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetTyrosine-protein kinase Mer(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataKi:  30nMAssay Description:ATP competitive inhibition of human MerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 alpha(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataKi:  33nMAssay Description:ATP competitive inhibition of human GSK3alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetMast/stem cell growth factor receptor Kit(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataKi:  39nMAssay Description:ATP competitive inhibition of human c-Kit D816H mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetSerine-protein kinase ATM(Human)
Celator Pharmaceuticals

US Patent
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataKi:  59nMAssay Description:ATP competitive inhibition of human ABL T315I mutantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataKi:  130nMAssay Description:Inhibition of human Flt3More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataKi:  140nMAssay Description:Inhibition of human GSK3betaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataKi:  140nMAssay Description:Inhibition of human PI3K p110alpha/p85alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataKi:  150nMAssay Description:Inhibition of human JAK2More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetTyrosine-protein kinase SYK(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
Affinity DataKi:  190nMAssay Description:Inhibition of human SYKMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetDNA-dependent protein kinase catalytic subunit(Human)
Vertex Pharmaceuticals (Europe)

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Maastricht University Medical Centre

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
4/24/2019
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Maastricht University Medical Centre

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
4/24/2019
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Maastricht University Medical Centre

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
4/24/2019
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Maastricht University Medical Centre

Curated by ChEMBL
LigandPNGBDBM350085(US10208027, Compound II-1 | US10208027, Compound I...)
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
In Depth
Date in BDB:
4/24/2019
Entry Details Article
PubMed