Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM197266'   

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))	BDBM197266 (US9090621, 175B) Show SMILES CC(C)C(C)(C)C=C(C#N)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,w:6.5| Show InChI InChI=1S/C33H36N6O2/c1-22(2)33(3,4)17-24(18-34)32(40)39-16-8-9-25(39)19-38-20-28(29-30(35)36-21-37-31(29)38)23-12-14-27(15-13-23)41-26-10-6-5-7-11-26/h5-7,10-15,17,20-22,25H,8-9,16,19H2,1-4H3,(H2,35,36,37)/t25-/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	1	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 Formula...				US Patent US9090621 (2015) BindingDB Entry DOI: 10.7270/Q27M06QW
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