Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM174758'   

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))	BDBM174758 (US9688676, 46 (R)-2-(3-(4-amino-2-oxo-3-(4-phenoxy...) Show SMILES Nc1nccc2n([C@@H]3CCCN(C3)C(=O)C(=C\C3(CC3)c3ccccc3)\C#N)c(=O)n(-c3ccc(Oc4ccccc4)cc3)c12 |r| Show InChI InChI=1S/C36H32N6O3/c37-23-25(22-36(18-19-36)26-8-3-1-4-9-26)34(43)40-21-7-10-28(24-40)41-31-17-20-39-33(38)32(31)42(35(41)44)27-13-15-30(16-14-27)45-29-11-5-2-6-12-29/h1-6,8-9,11-17,20,22,28H,7,10,18-19,21,24H2,(H2,38,39)/b25-22+/t28-/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	13	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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