BDBM465748 2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-2-(hydroxymethyl)phenyl)-6-cyclopropyl-8-fluoroisoquinolin-1(2H)-one::US10793575, Example 23

SMILES Nc1nc(-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)c2cc([nH]c2n1)C1=CCN(CC1)C1COC1

InChI Key InChIKey=LJODJUIHONTDMR-UHFFFAOYSA-N

Data  24 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 465748   

TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences

US Patent
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50: <10nMAssay Description:The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Carna Biosciences

Curated by ChEMBL
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  8.54E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK [C481S](Homo sapiens (Human))
Carna Biosciences

US Patent
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  0.990nMAssay Description:The kinase activity was measured using QuickScout Screening Assist (trademark) MSA (commercially available kit manufactured by Carna Biosciences, Inc...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences

US Patent
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  0.850nMAssay Description:Inhibition of human BTK-A using phosphorylated substrate in presence of ATP by microplate reader assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences

US Patent
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  0.990nMAssay Description:Inhibition of human BTK C481S mutant using phosphorylated substrate in presence of ATP by microplate reader assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytoplasmic tyrosine-protein kinase BMX(Homo sapiens (Human))
Carna Biosciences

Curated by ChEMBL
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  8.5nMAssay Description:Inhibition of human full-length BMX (1 to 675 residues) expressed in baculovirus expression system by mobility shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEpithelial discoidin domain-containing receptor 1(Homo sapiens (Human))
Carna Biosciences

Curated by ChEMBL
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  221nMAssay Description:Inhibition of human DDR1 (444 - 876 residues) expressed in baculovirus expression system by mobility shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase ITK/TSK(Homo sapiens (Human))
Carna Biosciences

Curated by ChEMBL
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  61nMAssay Description:Inhibition of human ITK (2 - 620 residues) expressed in baculovirus expression system by mobility shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscle, skeletal receptor tyrosine-protein kinase(Homo sapiens (Human))
Carna Biosciences

Curated by ChEMBL
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  306nMAssay Description:Inhibition of human MUSK expressed in baculovirus expression system by mobility shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
Carna Biosciences

Curated by ChEMBL
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  291nMAssay Description:Inhibition of human full length SRC expressed in baculovirus expression system by mobility shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Tec(Homo sapiens (Human))
Carna Biosciences

Curated by ChEMBL
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  1.30nMAssay Description:Inhibition of human TEC (359 - 631 residues) expressed in baculovirus expression system by mobility shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences

US Patent
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  3.70nMAssay Description:Inhibition of wild type BTK (unknown origin) in presence of 1 mM ATP by microplate reader assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences

US Patent
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  5.90nMAssay Description:Inhibition of BTK C481S mutant (unknown origin) in presence of 1 mM ATP by microplate reader assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences

US Patent
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of BTK in human Ramos cells assessed as reduction in BTK phosphorylation at Tyr223 residue incubated for 24 hrs by Western blot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences

US Patent
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  1.70nMAssay Description:Inhibition of BTK in human Ramos cells assessed as reduction of IgM stimulated PLCgamma2 (Y1217) phosphorylation after 24 hrs by western blot assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences

US Patent
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  11nMAssay Description:Inhibition of BTK in human whole blood assessed as activation of anti-IgM-induced CD69 expression by flow cytometry analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Carna Biosciences

Curated by ChEMBL
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Carna Biosciences

Curated by ChEMBL
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2B6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens)
Carna Biosciences

Curated by ChEMBL
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Carna Biosciences

Curated by ChEMBL
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2CD6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Carna Biosciences

Curated by ChEMBL
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
Carna Biosciences

Curated by ChEMBL
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  3.17E+3nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Carna Biosciences

Curated by ChEMBL
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  5.38E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase BTK(Homo sapiens (Human))
Carna Biosciences

US Patent
LigandPNGBDBM465748(2-(3-{2-amino-6-[1-(oxetan-3-yl)-1,2,3,6-tetrahydr...)
Affinity DataIC50:  0.460nMAssay Description:The kinase activity was measured using QuickScout Screening Assist (trade mark) MSA (commercially available kit manufactured by Carna Biosciences, In...More data for this Ligand-Target Pair
In DepthDetails US Patent