BDBM50591313 GANDOTINIB::Gandotinib::LY-2784544::LY2784544::Ly-2784544::Ly2784544

SMILES Cc1cc(n[nH]1)Nc2cc(c3nc(c(n3n2)Cc4ccc(cc4F)Cl)C)CN5CCOCC5

InChI Key InChIKey=SQSZANZGUXWJEA-UHFFFAOYSA-N

Data  12 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50591313   

TargetTyrosine-protein kinase JAK2(Human)
Csir-Indian Institute of Integrative Medicine

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 3nMAssay Description:Inhibition of JAK 2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2(Human)
Csir-Indian Institute of Integrative Medicine

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 3nMAssay Description:Inhibition of JAK2 (unknown origin) by Lanthascreen kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2(Human)
Csir-Indian Institute of Integrative Medicine

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 6.20nMAssay Description:Inhibition of recombinant human JAK2 assessed as inhibition of substrate phosphorylation measured every 5 mins for 30 mins by LANCE Ultra kinase assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK1(Human)
Tampere University

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 7.30nMAssay Description:Inhibition of recombinant human JAK1 assessed as inhibition of substrate phosphorylation measured every 5 mins for 30 mins by LANCE Ultra kinase assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetTyrosine-protein kinase JAK1(Human)
Tampere University

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataKd:  8.20nMAssay Description:Binding affinity to recombinant human JAK1 kinase domain by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Csir-Indian Institute of Integrative Medicine

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataKd:  11nMAssay Description:Binding affinity to recombinant human JAK2 kinase domain by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2(Human)
Csir-Indian Institute of Integrative Medicine

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataKd:  11nMAssay Description:Binding affinity to recombinant human JAK2 kinase domain (840 to 1132 residues) assessed as dissociation constant by fluorescence polarization measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK3(Human)
Tampere University

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataKd:  13nMAssay Description:Binding affinity to recombinant human JAK3 kinase domain by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Human)
Tampere University

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataKd:  16nMAssay Description:Binding affinity to recombinant human TYK2 kinase domain by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Human)
Tampere University

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 44nMAssay Description:Inhibition of TYK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetTyrosine-protein kinase JAK3(Human)
Tampere University

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 48nMAssay Description:Inhibition of JAK3 (unknown origin) by Lanthascreen kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Csir-Indian Institute of Integrative Medicine

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 55nMAssay Description:Inhibition of JAK2 V617F mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2(Human)
Csir-Indian Institute of Integrative Medicine

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 68nMAssay Description:Inhibition of JAK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetNon-receptor tyrosine-protein kinase TYK2(Human)
Tampere University

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 92nMAssay Description:Inhibition of recombinant human TYK2 assessed as inhibition of substrate phosphorylation measured every 5 mins for 30 mins by LANCE Ultra kinase assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Csir-Indian Institute of Integrative Medicine

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 155nMAssay Description:Inhibition of JAK2-mediated erythropoietin-induced STAT5 phosphorylation in human TF-1 cells pretreated for 60 mins followed by erythropoietin additi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK3(Human)
Tampere University

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 199nMAssay Description:Inhibition of recombinant human JAK3 assessed as inhibition of substrate phosphorylation measured every 5 mins for 30 mins by LANCE Ultra kinase assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetLIM domain kinase 1(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 398nMAssay Description:Inhibition of recombinant LIMK1 (330 to 637 residues) (unknown origin) incubated for 45 mins followed by ATP addition measured after 105 mins by Rapi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetLIM domain kinase 1(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 1.05E+3nMAssay Description:Inhibition of PAK mediated recombinant LIMK1 phosphorylation (330 to 637 residues) (unknown origin) incubated for 45 mins followed by ATP addition me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetTyrosine-protein kinase JAK2(Mouse)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 1.18E+3nMAssay Description:Inhibition of IL-3 stimulated wild type JAK2-mediated signalling in mouse BaF3 cells preincubated with compound for 5 hrs followed by IL-3 stimulatio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2(Human)
Csir-Indian Institute of Integrative Medicine

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 2.26E+3nMAssay Description:Inhibition of wild type JAK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetLIM domain kinase 2(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 6.03E+3nMAssay Description:Inhibition of PAK mediated recombinant LIMK2 phosphorylation (347 to 659 residues) (unknown origin) incubated for 45 mins followed by ATP addition me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetLIM domain kinase 2(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant LIMK2(unknown origin) expressed in HEK293 cells using NanoGlo substrate incubated for 2 hrs followed by substrate addition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetLIM domain kinase 2(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant LIMK2 (347 to 659 residues) (unknown origin) incubated for 45 mins followed by ATP addition measured after 180 mins by Rapi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetLIM domain kinase 1(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant LIMK1(unknown origin) expressed in HEK293 cells using NanoGlo substrate incubated for 2 hrs followed by substrate addition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetLIM domain kinase 1/2(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50591313(Gandotinib | Ly-2784544 | Ly2784544 | LY-2784544 |...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of LIMK1/LIMK2 in human SH-SY5Y cells assessed as effect on phospho cofilin serine 3 phosphorylation incubated for 2 hr by AlphaLISA SureF...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed