BDBM50505817 CHEMBL4447631

SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCO)c(F)c2)ncc1C

InChI Key InChIKey=CVLXNRIQVFIVGY-UHFFFAOYSA-N

Data  32 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50505817   

TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  26nMAssay Description:Inhibition of human JAK1 (866 to end residues) GEEPLYWSFPAKK as substrate after 40 mins in presence of [gamma33P]-ATP by scintillation counting based...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  39nMAssay Description:Inhibition of recombinant human JAK3 (781 to end residues) using GGEEEEYFELVKKKK as substrate measured after 40 mins in presence of [gamma33P]ATP by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  692nMAssay Description:Inhibition of JAK1 in human TF-1 cells assessed as reduction in IL-6-induced STAT3 phosphorylation by flow cytometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  7.81E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  4nMAssay Description:Inhibition of recombinant human FLT3 D835Y mutant (564 to end residues) using EAIYAAPFAKKK as substrate incubated for 40 mins in presence of [gamma33...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Lyn(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  17nMAssay Description:Inhibition of recombinant full length human LYN using poly(Glu, Tyr) 4:1 as substrate incubated for 40 mins in presence of [gamma33P]-ATP by scintill...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetJAK3/JAK1(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  112nMAssay Description:Inhibition of JAK1/JAK3 in human PBMC cells assessed as reduction in IL-2-induced STAT5 phosphorylation by flow cytometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  94nMAssay Description:Inhibition of JAK1 in human PBMC cells assessed as reduction in IL-6-induced STAT3 phosphorylation by flow cytometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  270nMAssay Description:Inhibition of JAK2 in human TF-1 cells assessed as reduction in IL-3-induced STAT5 phosphorylation by flow cytometryMore data for this Ligand-Target Pair
TargetJAK3/JAK1(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  578nMAssay Description:Inhibition of JAK1/JAK3 in human THP-1 cells assessed as reduction in IL-4-induced STAT6 phosphorylation by flow cytometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  2.80E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  7.47E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP2E1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  0.700nMAssay Description:Inhibition of human JAK2 (808 to end residues) using KTFCGTPEYLAP as substrate after 40 mins in presence of [gamma33P]-ATP by scintillation counting ...More data for this Ligand-Target Pair
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  4nMAssay Description:Inhibition of human FLT3 (564 to end residues) using EAIYAAPFAKKK as substrate after 40 mins in presence of [gamma33P]-ATP by scintillation counting ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVascular endothelial growth factor receptor 3(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  8nMAssay Description:Inhibition of recombinant human FLT4 (800 to 1297 residues) using poly(Glu:Tyr) as substrate incubated for 30 mins in presence of [gamma33P]-ATP by s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  39nMAssay Description:Inhibition of human JAK3 (781 to end residues) using GGEEEEYFELVKK as substrate after 40 mins in presence of [gamma33P]-ATP by scintillation counting...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK2(Mus musculus)
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  145nMAssay Description:Inhibition of JAK2 V617F mutant in BAF3 cells assessed as reduction in cell growth measured after 72 hrs by MTT assayMore data for this Ligand-Target Pair
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D3(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  18nMAssay Description:Inhibition of recombinant full length human CDK4/CyclinD3 using Rb fragment as substrate incubated for 30 mins in presence of [gamma33P]-ATP by scint...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVascular endothelial growth factor receptor 1(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  22nMAssay Description:Inhibition of recombinant human FLT1 (783 to end residues) using KKKSPGEYVNIEF as substrate incubated for 40 mins in presence of [gamma33P]-ATP by sc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  27nMAssay Description:Inhibition of recombinant human full length human LCK using KVEKIGEGTYGVV as substrate incubated for 40 mins in presence of [gamma33P]-ATP by scintil...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  10nMAssay Description:Inhibition of JAK2 in human PBMC cells assessed as reduction in GM-CSF-induced STAT5 phosphorylation by flow cytometryMore data for this Ligand-Target Pair
TargetCytochrome P450 1A2(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  6.44E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  270nMAssay Description:Inhibition of JAK2 V617F mutant in human SET-2 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Mus musculus)
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  145nMAssay Description:Inhibition of JAK2 V617F mutant in mouse BaF3 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assayMore data for this Ligand-Target Pair
TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  72nMAssay Description:Inhibition of FLT3 ITD mutant in human MOLM13 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  0.700nMAssay Description:Inhibition of recombinant human JAK2 (808 to end residues) KTFCGTPEYLAPE as substrate measured after 40 mins in presence of [gamm33P]ATP by scintilla...More data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  2nMAssay Description:Inhibition of recombinant human TYK2 (875 to end residues) using GGMEDIYFEFMGG as substrate incubated for 40 mins in presence of [gamma33P]ATP by sci...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  26nMAssay Description:Inhibition of human JAK1 (866 to end residues) using GEEPLYWSFPAKKK as substrate after 40 mins in presence of [gamma33P]ATP by scintillation counting...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 6/G1/S-specific cyclin-D3(Homo sapiens (Human))
West China Hospital Of Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505817(CHEMBL4447631)
Affinity DataIC50:  66nMAssay Description:Inhibition of recombinant full length human CDK6/CyclinD3 using histone H1 as substrate incubated for 30 mins in presence of [gamma33P]-ATP by scinti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed