Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK [14-552]' and Ligand = 'BDBM324316'   

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 [14-552] (Homo sapiens (Human))	BDBM324316 (5-(tert-butyl)-N-(2-(3- hydroxycyclobutyl)-8-(2- (...) Show SMILES Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2nnc(o2)C(C)(C)C)cn1 |(7.77,-4.52,;6.23,-4.52,;5.32,-5.76,;3.86,-5.29,;2.52,-6.06,;1.19,-5.29,;-.14,-6.06,;-1.48,-5.29,;-1.48,-3.75,;-.14,-2.98,;1.19,-3.75,;-.14,-1.44,;1.19,-.67,;1.19,.87,;-.14,1.64,;-.14,3.18,;-.96,4.29,;-2.5,4.18,;-3.36,2.91,;-2.91,1.44,;-1.48,.87,;-1.48,-.67,;-4.89,3.14,;-5.75,4.41,;-7.03,3.55,;-8.54,3.85,;-6.16,2.28,;1.19,3.95,;2.52,3.18,;2.52,1.64,;3.86,3.95,;3.86,5.49,;5.32,5.97,;6.23,4.72,;5.32,3.48,;7.77,4.72,;7,6.06,;8.54,3.39,;8.54,6.06,;3.86,-3.75,;5.32,-3.27,)| Show InChI InChI=1S/C29H35N9O3/c1-29(2,3)27-36-35-26(41-27)25(40)33-24-8-10-38(20-12-21(39)13-20)15-18-11-17(5-6-22(18)24)23-7-9-30-28(34-23)32-19-14-31-37(4)16-19/h5-7,9,11,14,16,20-21,24,39H,8,10,12-13,15H2,1-4H3,(H,33,40)(H,30,32,34)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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