BDBM50242742 5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]PHENYL]-N'-(2-PROPAN-2-YLSULFONYLPHENYL)PYRIMIDINE-2,4-DIAMINE::5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine::CHEMBL509032::NVP-TAE684::TAE-684::TAE684::US10647694, Example 36

SMILES COc3cc(N2CCC(N1CCN(C)CC1)CC2)ccc3Nc5ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n5

InChI Key InChIKey=QQWUGDVOUVUTOY-UHFFFAOYSA-N

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50242742   

TargetInsulin-like growth factor 1 receptor(Human)
ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50242742BDBM50242742(5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL...)
Affinity DataIC50: 27nMAssay Description:Inhibition of IGF-1R phosphorylation in IGF-1 stimulated human HepG2 cells preincubated with compound for 30 mins followed by IGF-1 stimulation for 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetALK tyrosine kinase receptor(Human)
Knight Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50242742BDBM50242742(5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL...)
Affinity DataIC50: 160nMAssay Description:Inhibition of ALK in human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell prolif...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetInsulin receptor(Human)
ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50242742BDBM50242742(5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL...)
Affinity DataIC50: 293nMAssay Description:Inhibition of INSR phosphorylation in insulin-stimulated human H4-II-E cells preincubated with compound for 30 mins followed by insulin stimulation a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetALK tyrosine kinase receptor(Human)
Knight Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50242742BDBM50242742(5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL...)
Affinity DataIC50: 296nMAssay Description:Inhibition of ALK in Melphalan Resistant human RPMI-8226 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetALK tyrosine kinase receptor(Human)
Knight Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50242742BDBM50242742(5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL...)
Affinity DataIC50: 458nMAssay Description:Inhibition of ALK in human bortezomib-resistant ANBL6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one sol...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetALK tyrosine kinase receptor(Human)
Knight Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50242742BDBM50242742(5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL...)
Affinity DataIC50: 502nMAssay Description:Inhibition of ALK in human ANBL-6 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell prolifera...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetALK tyrosine kinase receptor(Human)
Knight Cancer Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50242742BDBM50242742(5-CHLORO-N-[2-METHOXY-4-[4-(4-METHYLPIPERAZIN-1-YL...)
Affinity DataIC50: 604nMAssay Description:Inhibition of ALK in human U-266 cells assessed as reduction of cell growth incubated for 72 hrs by CellTiter 96 aqueous one solution cell proliferat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)