Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM362421'   

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))	BDBM362421 (US9834554, Example 35) Show SMILES C[C@H]1CC[C@H](CN1C(=O)C1(C)COC1)c1nn(-c2ccc(cc2)C(=O)Nc2cccc(OC3CC3)c2)c2c(N)nccc12 |r| Show InChI InChI=1S/C33H36N6O4/c1-20-6-7-22(17-38(20)32(41)33(2)18-42-19-33)28-27-14-15-35-30(34)29(27)39(37-28)24-10-8-21(9-11-24)31(40)36-23-4-3-5-26(16-23)43-25-12-13-25/h3-5,8-11,14-16,20,22,25H,6-7,12-13,17-19H2,1-2H3,(H2,34,35)(H,36,40)/t20-,22+/m0/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	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9834554 (2017) BindingDB Entry DOI: 10.7270/Q2K64MCV
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