BDBM50594231 CHEMBL5195945

SMILES CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)Nc5ccncn5)C)CO

InChI Key InChIKey=QTEIEFCDHKXATA-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50594231   

TargetTyrosine-protein kinase BTK(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50594231(CHEMBL5195945)
Affinity DataIC50: 43nMAssay Description:Inhibition of BTK T474M mutant (unknown origin) expressed in baculovirus infected Trichoplusia ni pro cells incubated for 30 mins in presence of ATP ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50594231(CHEMBL5195945)
Affinity DataIC50: 7.20nMAssay Description:Inhibition of His-tagged full-length recombinant wild-type human BTK (Ala2 to Ser659 residues) expressed in baculovirus infected insect cells incubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50594231(CHEMBL5195945)
Affinity DataIC50: 7.40nMAssay Description:Inhibition of BTK C481S mutant (unknown origin) expressed in baculovirus infected Sf9 insect cells incubated for 30 mins in presence of ATP by Microf...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50594231(CHEMBL5195945)
Affinity DataIC50: 7.5nMAssay Description:Inhibition of BTK C481R mutant (unknown origin) expressed in baculovirus infected Trichoplusia ni pro cells incubated for 30 mins in presence of ATP ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Nanjing University of Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50594231(CHEMBL5195945)
Affinity DataIC50: 439nMAssay Description:Inhibition of BTK T474I mutant (unknown origin) expressed in baculovirus infected Trichoplusia ni pro cells incubated for 30 mins in presence of ATP ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)