Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK [393-659]' and Ligand = 'BDBM287204'   

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 [393-659] (Homo sapiens (Human))	BDBM287204 (US9567339, Example A.3.8) Show SMILES CC(=O)N1CCC(=CC1)c1cc2c(ccc(C(N)=O)c2[nH]1)-c1cccc(NC(=O)c2ccc(cc2)C(C)(C)C#N)c1C |c:6| Show InChI InChI=1S/C34H33N5O3/c1-20-25(6-5-7-29(20)38-33(42)23-8-10-24(11-9-23)34(3,4)19-35)26-12-13-27(32(36)41)31-28(26)18-30(37-31)22-14-16-39(17-15-22)21(2)40/h5-14,18,37H,15-17H2,1-4H3,(H2,36,41)(H,38,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.5	25
AbbVie Inc. US Patent					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				US Patent US9567339 (2017) BindingDB Entry DOI: 10.7270/Q2P2715T
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