Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM174556'   

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))	BDBM174556 (US9688676, 21 (R)-2-(3-(4-amino-2-oxo-3-(4-phenoxy...) Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3c(F)cccc3F)cc2)c1=O)N1CCNC(=O)C1 |r,w:3.2| Show InChI InChI=1S/C34H34F2N8O4/c1-34(2,42-16-14-39-28(45)20-42)17-21(18-37)32(46)41-15-4-5-23(19-41)43-27-12-13-40-31(38)29(27)44(33(43)47)22-8-10-24(11-9-22)48-30-25(35)6-3-7-26(30)36/h3,6-13,17,23H,4-5,14-16,19-20H2,1-2H3,(H2,38,40)(H,39,45)/t23-/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	4.60	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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