BDBM36516 4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morpholine-4-carbonyl)phenyl)amino)-5-oxo-4,5-dihydropyrazin-2-yl)phenyl)benzamide::CGI1746, 2

SMILES Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=N3)Nc4ccc(cc4)C(=O)N5CCOCC5)C

InChI Key InChIKey=JIFCFQDXHMUPGP-UHFFFAOYSA-N

Data  8 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 36516   

TargetTyrosine-protein kinase BTK(Human)
Cgi Pharmaceuticals

LigandPNGBDBM36516(4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...)
Affinity DataIC50: 1.90nM Kd:  1.5nMpH: 7.5 T: 2°CAssay Description:Biochemical assay using Lanthascreen (human, full-lenght, C-terminal v5-His6 expressed in Sf9 cell) assay from Invitrogen.More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Mouse)
Genentech

Curated by ChEMBL
LigandPNGBDBM36516(4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...)
Affinity DataIC50: 150nMAssay Description:Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Cgi Pharmaceuticals

LigandPNGBDBM36516(4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...)
Affinity DataIC50: 8nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/9/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Cgi Pharmaceuticals

LigandPNGBDBM36516(4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...)
Affinity DataIC50: 81nMAssay Description:Inhibition of biotinylated and activated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Cgi Pharmaceuticals

LigandPNGBDBM36516(4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...)
Affinity DataIC50: 0.610nMAssay Description:Inhibition of biotinylated and unactivated BTK (unknown origin) using FITC-labeled Srctide peptide substrate and ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Cgi Pharmaceuticals

LigandPNGBDBM36516(4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...)
Affinity DataIC50: 1.90nMAssay Description:Inhibition of BTK (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase BTK(Human)
Cgi Pharmaceuticals

LigandPNGBDBM36516(4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...)
Affinity DataIC50: 8.90nMAssay Description:Inhibition of BTK (unknown origin)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)
Cgi Pharmaceuticals

LigandPNGBDBM36516(4-(tert-Butyl)-N-(2-methyl-3-(4-methyl-6-((4-(morp...)
Affinity DataIC50: 16nMAssay Description:Inhibition of BTK C481S mutant (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)