Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytoplasmic tyrosine-protein kinase BMX' and Ligand = 'BDBM50236031'   

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
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50236031 (CHEMBL4074708) Show SMILES CNc1nc(Nc2ccc(C)c(NC(=O)C=C)c2)ncc1C(=O)Nc1cc(NC(=O)c2cc(C)ccc2F)ccc1C Show InChI InChI=1S/C31H30FN7O3/c1-6-27(40)37-25-15-21(11-9-18(25)3)36-31-34-16-23(28(33-5)39-31)30(42)38-26-14-20(10-8-19(26)4)35-29(41)22-13-17(2)7-12-24(22)32/h6-16H,1H2,2-5H3,(H,35,41)(H,37,40)(H,38,42)(H2,33,34,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human His-tagged BMX expressed in baculovirus expression system using Poly(4:1 Glu, Tyr) as substrate after 1 h...				J Med Chem 60: 1793-1816 (2017) Article DOI: 10.1021/acs.jmedchem.6b01413 BindingDB Entry DOI: 10.7270/Q2GH9M74
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