BDBM374592 3-amino-5-[3-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-2-(hydroxymethyl)phenyl]-1H-indazole-7-carboxylic acid::US10246457, Example 1
SMILES: CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(C(O)=O)c5[nH]nc(N)c5c4)c3CO)c2=O)c1
InChI Key: InChIKey=NRIQNUTYFXELFD-UHFFFAOYSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase BTK (Homo sapiens (Human)) | BDBM374592 (3-amino-5-[3-(6-tert-butyl-8-fluoro-1-oxophthalazi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital | Assay Description Btk enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (lime-resolved fluorescence resonance energy transfer) assay... | J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2833VB3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase BTK (Homo sapiens (Human)) | BDBM374592 (3-amino-5-[3-(6-tert-butyl-8-fluoro-1-oxophthalazi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital | Assay Description Btk enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (lime-resolved fluorescence resonance energy transfer) assay... | J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2833VB3 | |||||||||||
More data for this Ligand-Target Pair |