Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50403057'   

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))	BDBM50403057 (CHEMBL2216828) Show SMILES COc1cc(ccc1Oc1cccc(Cl)c1)-c1c(Cl)c(C2CCCN(C2)C(=O)C=C)n2ncnc(N)c12 Show InChI InChI=1S/C27H25Cl2N5O3/c1-3-22(35)33-11-5-6-17(14-33)25-24(29)23(26-27(30)31-15-32-34(25)26)16-9-10-20(21(12-16)36-2)37-19-8-4-7-18(28)13-19/h3-4,7-10,12-13,15,17H,1,5-6,11,14H2,2H3,(H2,30,31,32)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Covalution Pharma BV Curated by ChEMBL					Assay Description Inhibition of Btk				J Med Chem 55: 6243-62 (2012) Article DOI: 10.1021/jm3003203 BindingDB Entry DOI: 10.7270/Q2X92CGP
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