BDBM613974 US11739090, Compound 3B::US11739090, Compound 5B

SMILES Fc1cccc(F)c1Oc1ccc(cc1)-n1nc([C@@H]2CN(CCO2)C(=O)C=C)c2c(F)cncc12

InChI Key InChIKey=TUMDRAALZUBTGH-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 613974   

TargetTyrosine-protein kinase BTK(Human)
Jumbo Drug Bank

US Patent
LigandPNGBDBM613974(US11739090, Compound 5B | US11739090, Compound 3B)
Affinity DataIC50: 2.16nMAssay Description:1. Reaction conditions: buffer conditions: 20 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mm Na3VO4, 2 mm DTT, 1% DM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2023
Entry Details
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TargetTyrosine-protein kinase BTK(Human)
Jumbo Drug Bank

US Patent
LigandPNGBDBM613974(US11739090, Compound 5B | US11739090, Compound 3B)
Affinity DataIC50: 2.70nMAssay Description:1. Reaction conditions: buffer conditions: 20 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mm Na3VO4, 2 mm DTT, 1% DM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2023
Entry Details
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TargetEpidermal growth factor receptor(Human)
Jumbo Drug Bank

US Patent
LigandPNGBDBM613974(US11739090, Compound 5B | US11739090, Compound 3B)
Affinity DataIC50: 829nMAssay Description:1. Reaction conditions: buffer conditions: 20 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mm Na3VO4, 2 mm DTT, 1% DM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2023
Entry Details
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TargetTyrosine-protein kinase ITK/TSK(Human)
Jumbo Drug Bank

US Patent
LigandPNGBDBM613974(US11739090, Compound 5B | US11739090, Compound 3B)
Affinity DataIC50: 5.43E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2023
Entry Details
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TargetTyrosine-protein kinase Tec(Human)
Jumbo Drug Bank

US Patent
LigandPNGBDBM613974(US11739090, Compound 5B | US11739090, Compound 3B)
Affinity DataIC50: 74.8nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2023
Entry Details
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TargetTyrosine-protein kinase BTK(Human)
Jumbo Drug Bank

US Patent
LigandPNGBDBM613974(US11739090, Compound 5B | US11739090, Compound 3B)
Affinity DataIC50: 2.16nMAssay Description:1. Reaction conditions: buffer conditions: 20 mM HEPES (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mm Na3VO4, 2 mm DTT, 1% DM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2023
Entry Details
Go to US Patent