BDBM225238 BTK inhibitor, 3

SMILES CNC(=O)[C@H]1Cc2c(CN1C(=O)c1occc1CNc1ccc3nccnc3c1)[nH]c1ccccc21

InChI Key InChIKey=WHELPQVBBOUXAO-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 = 225238   

TargetTyrosine-protein kinase BTK(Human)
X-Chem Pharmaceuticals

LigandPNGBDBM225238(BTK inhibitor, 3)
Affinity DataIC50: 0.550nMT: 2°CAssay Description:The BTK time-resolved FRET-based competitive binding assay and cell-based BTK assays have been previously described.[Xu et al., J.Pharmacol. Exp. The...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
X-Chem Pharmaceuticals

LigandPNGBDBM225238(BTK inhibitor, 3)
Affinity DataIC50: 0.550nMAssay Description:Inhibition of recombinant wild type human N-terminal His6-tagged BTK expressed in baculovirus incubated for 20 mins by TR-FRET based competitive bind...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
X-Chem Pharmaceuticals

LigandPNGBDBM225238(BTK inhibitor, 3)
Affinity DataIC50: 3.80nMAssay Description:Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected in Sf9 cells incubated for 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
X-Chem Pharmaceuticals

LigandPNGBDBM225238(BTK inhibitor, 3)
Affinity DataIC50: 3nMAssay Description:Inhibition of recombinant human N-terminal His-tagged BTK C481S mutant expressed in baculovirus infected in Sf9 cells incubated for 1 hr by TR-FRET a...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
X-Chem Pharmaceuticals

LigandPNGBDBM225238(BTK inhibitor, 3)
Affinity DataIC50: 0.550nMAssay Description:Inhibition of N-terminal 6xHis-tagged full length human wild type BTK (389 to 659 residues) expressed in baculovirus measured after 1 hr by TR-FRET a...More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)