Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM174402'   

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))	BDBM174402 (US9688676, 4 (R)-2-(3-(4-amino-2-oxo-3-(4-phenoxyp...) Show SMILES CC(\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)N1CCOCC1 |r| Show InChI InChI=1S/C33H35N7O4/c1-23(37-16-18-43-19-17-37)20-24(21-34)32(41)38-15-5-6-26(22-38)39-29-13-14-36-31(35)30(29)40(33(39)42)25-9-11-28(12-10-25)44-27-7-3-2-4-8-27/h2-4,7-14,20,23,26H,5-6,15-19,22H2,1H3,(H2,35,36)/b24-20+/t23?,26-/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	7.80	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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