BDBM412687 US10399979, Compound 18

SMILES COc1cc2c3cnc4[nH]ccc4c3n([C@@H]3CCCN(C3)C(=O)CC#N)c(=O)c2cc1OC

InChI Key

Data  10 IC50  3 Kd

  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 13 hits for monomerid = 412687   

TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Purdue Research Foundation

US Patent
LigandPNGBDBM412687(US10399979, Compound 18)
Affinity DataIC50:  1.02nMAssay Description:Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Purdue Research Foundation

US Patent
LigandPNGBDBM412687(US10399979, Compound 18)
Affinity DataIC50:  3.12nMAssay Description:Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Purdue Research Foundation

US Patent
LigandPNGBDBM412687(US10399979, Compound 18)
Affinity DataIC50:  2.55nMAssay Description:Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Purdue Research Foundation

US Patent
LigandPNGBDBM412687(US10399979, Compound 18)
Affinity DataIC50:  4.35nMAssay Description:Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Purdue Research Foundation

US Patent
LigandPNGBDBM412687(US10399979, Compound 18)
Affinity DataIC50:  3.10nMAssay Description:Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding methodMore data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Purdue Research Foundation

US Patent
LigandPNGBDBM412687(US10399979, Compound 18)
Affinity DataIC50:  4.40nMAssay Description:Inhibition of TYK2 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding methodMore data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Purdue Research Foundation

US Patent
LigandPNGBDBM412687(US10399979, Compound 18)
Affinity DataIC50:  2.60nMAssay Description:Inhibition of JAK3 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding methodMore data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM412687(US10399979, Compound 18)
Affinity DataKd: >100nMAssay Description:Binding affinity to DNA-tagged recombinant human FLT3 D835V mutant (592 to 969 residues) expressed in mammalian expression system by KINOMEscan assayMore data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetMitogen-activated protein kinase kinase kinase 19(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM412687(US10399979, Compound 18)
Affinity DataKd:  1.20nMAssay Description:Binding affinity to DNA-tagged recombinant human YSK4 (1019 to 1328 residues) expressed in mammalian expression system by KINOMEscan assayMore data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetBMP-2-inducible protein kinase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM412687(US10399979, Compound 18)
Affinity DataKd:  0.220nMAssay Description:Binding affinity to DNA-tagged recombinant human BIKE (34 to 329 residues) expressed in bacterial expression system by KINOMEscan assayMore data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Purdue Research Foundation

US Patent
LigandPNGBDBM412687(US10399979, Compound 18)
Affinity DataIC50:  1.55E+3nMAssay Description:Inhibition of JAK3 in human SZ4 cells assessed as reduction in IL2-stimulated STAT5 phosphorylation preincubated for 1 hr followed by IL2 stimulation...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Purdue Research Foundation

US Patent
LigandPNGBDBM412687(US10399979, Compound 18)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of JAK1 (unknown origin) preincubated for 20 mins followed by [33P]-ATP addition measured after 2 hrs by filter-binding methodMore data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Purdue Research Foundation

US Patent
LigandPNGBDBM412687(US10399979, Compound 18)
Affinity DataIC50:  15nMAssay Description:Inhibition of JAK3 in human SZ4 cells assessed as reduction in IL2-stimulated STAT5 phosphorylation preincubated for 1 hr followed by IL2 stimulation...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed