BDBM412692 US10399979, Compound 21

SMILES COc1cc2c3cnc4[nH]ccc4c3n(C(C(C)C)C(=O)NCC(F)(F)F)c(=O)c2cc1OC

InChI Key InChIKey=JUIHFZZNBSJCSO-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 412692   

TargetTyrosine-protein kinase JAK1(Human)
Purdue Research Foundation

US Patent
LigandPNGBDBM412692(US10399979, Compound 21)
Affinity DataIC50: 30.2nMAssay Description:Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
7/27/2020
Entry Details
US Patent

TargetTyrosine-protein kinase JAK3(Human)
Purdue Research Foundation

US Patent
LigandPNGBDBM412692(US10399979, Compound 21)
Affinity DataIC50: 75nMAssay Description:Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
7/27/2020
Entry Details
US Patent

TargetTyrosine-protein kinase JAK2(Human)
Purdue Research Foundation

US Patent
LigandPNGBDBM412692(US10399979, Compound 21)
Affinity DataIC50: 110nMAssay Description:Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
7/27/2020
Entry Details
US Patent

TargetNon-receptor tyrosine-protein kinase TYK2(Human)
Purdue Research Foundation

US Patent
LigandPNGBDBM412692(US10399979, Compound 21)
Affinity DataIC50: 273nMAssay Description:Reagents used in JAK inhibition assay: Base Reaction buffer; 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
7/27/2020
Entry Details
US Patent