Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM174558'   

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))	BDBM174558 (US9688676, 23 (S)-4-amino-1-((1-(but-2-ynoyl)pyrro...) Show SMILES CC#CC(=O)N1CCCC1Cn1c2ccnc(N)c2n(-c2ccc(Oc3cccc(F)c3F)cc2)c1=O Show InChI InChI=1S/C27H23F2N5O3/c1-2-5-23(35)32-15-4-6-18(32)16-33-21-13-14-31-26(30)25(21)34(27(33)36)17-9-11-19(12-10-17)37-22-8-3-7-20(28)24(22)29/h3,7-14,18H,4,6,15-16H2,1H3,(H2,30,31)	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	26	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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