BDBM679455 US20240182466, Compound 1B

SMILES Fc1cccc(Oc2ccc(cc2)-n2nc([C@H]3CCCN(C3)C(=O)C=C)c3c(F)cncc23)c1F

InChI Key InChIKey=MCDRCFIVCSZLRU-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 679455   

TargetTyrosine-protein kinase BTK(Human)
Jumbo Drug Bank Co.

US Patent
LigandPNGBDBM679455(US20240182466, Compound 1B)
Affinity DataIC50: 2.16nMAssay Description:Experimental example 1: EGFR, ITK, TEC, and BTK kinase test.1. Reaction condition:Buffer condition: 20 mM HEPES(pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2024
Entry Details
US Patent

TargetTyrosine-protein kinase Tec(Human)
Jumbo Drug Bank Co.

US Patent
LigandPNGBDBM679455(US20240182466, Compound 1B)
Affinity DataIC50: 74.8nMAssay Description:Experimental example 1: EGFR, ITK, TEC, and BTK kinase test.1. Reaction condition:Buffer condition: 20 mM HEPES(pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2024
Entry Details
US Patent

TargetEpidermal growth factor receptor(Human)
Jumbo Drug Bank Co.

US Patent
LigandPNGBDBM679455(US20240182466, Compound 1B)
Affinity DataIC50: 829nMAssay Description:Experimental example 1: EGFR, ITK, TEC, and BTK kinase test.1. Reaction condition:Buffer condition: 20 mM HEPES(pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2024
Entry Details
US Patent

TargetTyrosine-protein kinase ITK/TSK(Human)
Jumbo Drug Bank Co.

US Patent
LigandPNGBDBM679455(US20240182466, Compound 1B)
Affinity DataIC50: 5.43E+3nMAssay Description:Experimental example 1: EGFR, ITK, TEC, and BTK kinase test.1. Reaction condition:Buffer condition: 20 mM HEPES(pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2024
Entry Details
US Patent