Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50123461'   

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))	BDBM50123461 (CHEMBL3621460) Show SMILES COc1ccc(cc1)-c1ccc(C(N)=O)c2[nH]c3ccc(cc3c12)C(=O)N1CCN(C)CC1 Show InChI InChI=1S/C26H26N4O3/c1-29-11-13-30(14-12-29)26(32)17-5-10-22-21(15-17)23-19(16-3-6-18(33-2)7-4-16)8-9-20(25(27)31)24(23)28-22/h3-10,15,28H,11-14H2,1-2H3,(H2,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
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