Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50020458'   

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))	BDBM50020458 (CHEMBL3290132) Show SMILES CCC(=O)Nc1ccc(C)c(c1)C(=O)Nc1cnc(Nc2cccc(N)c2)nc1 Show InChI InChI=1S/C21H22N6O2/c1-3-19(28)25-16-8-7-13(2)18(10-16)20(29)26-17-11-23-21(24-12-17)27-15-6-4-5-14(22)9-15/h4-12H,3,22H2,1-2H3,(H,25,28)(H,26,29)(H,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of Btk (unknown origin) after 1 hr by HTRF assay				J Med Chem 57: 5112-28 (2014) Article DOI: 10.1021/jm4017762 BindingDB Entry DOI: 10.7270/Q2NK3GKX
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