Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM374592'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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...) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(C(O)=O)c5[nH]nc(N)c5c4)c3CO)c2=O)c1 Show InChI InChI=1S/C27H24FN5O4/c1-27(2,3)15-7-14-11-30-33(25(35)22(14)20(28)10-15)21-6-4-5-16(19(21)12-34)13-8-17-23(31-32-24(17)29)18(9-13)26(36)37/h4-11,34H,12H2,1-3H3,(H,36,37)(H3,29,31,32)	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM374592 (3-amino-5-[3-(6-tert-butyl-8-fluoro-1-oxophthalazi...) Show SMILES CC(C)(C)c1cc(F)c2c(cnn(-c3cccc(-c4cc(C(O)=O)c5[nH]nc(N)c5c4)c3CO)c2=O)c1 Show InChI InChI=1S/C27H24FN5O4/c1-27(2,3)15-7-14-11-30-33(25(35)22(14)20(28)10-15)21-6-4-5-16(19(21)12-34)13-8-17-23(31-32-24(17)29)18(9-13)26(36)37/h4-11,34H,12H2,1-3H3,(H,36,37)(H3,29,31,32)	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