Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM174529'   

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))	BDBM174529 (US9688676, 20 (R)-2-(3-(4-amino-2-oxo-3-(4-phenoxy...) Show SMILES Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C(=CCC3CCSCC3)C#N)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 |r,w:16.17| Show InChI InChI=1S/C33H34N6O3S/c34-21-24(9-8-23-15-19-43-20-16-23)32(40)37-18-4-5-26(22-37)38-29-14-17-36-31(35)30(29)39(33(38)41)25-10-12-28(13-11-25)42-27-6-2-1-3-7-27/h1-3,6-7,9-14,17,23,26H,4-5,8,15-16,18-20,22H2,(H2,35,36)/t26-/m1/s1	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	15	n/a	n/a	n/a	n/a	n/a	25
PRINCIPIA BIOPHARMA INC. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of BTK kinase activity of a compound of the pre...				US Patent US9688676 (2017) BindingDB Entry DOI: 10.7270/Q2XD0ZVX
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