Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM206351'   

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))	BDBM206351 (US9260415, 102) Show SMILES Cn1cc(cc(Nc2ccnc(n2)N2CCC(C2)C(=O)NCC#N)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C35H38N10O4/c1-35(2)16-22-15-27-33(49)45(13-12-44(27)28(22)17-35)30-25(20-46)24(4-8-37-30)23-14-26(32(48)42(3)18-23)40-29-5-9-39-34(41-29)43-11-6-21(19-43)31(47)38-10-7-36/h4-5,8-9,14-15,18,21,46H,6,10-13,16-17,19-20H2,1-3H3,(H,38,47)(H,39,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.864	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Genentech, Inc. US Patent					Assay Description A generalized procedure for a standard biochemical Btk, Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus B...				US Patent US9260415 (2016) BindingDB Entry DOI: 10.7270/Q2WH2NT7
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