Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50455744'   

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))	BDBM50455744 (CHEMBL4217114) Show SMILES Nc1ncnc2n3C[C@@H](NC(=O)C=C)C(=C)c3c(-c3ccc(Oc4ccc(F)cc4)cc3)c12 |r| Show InChI InChI=1S/C25H20FN5O2/c1-3-20(32)30-19-12-31-23(14(19)2)21(22-24(27)28-13-29-25(22)31)15-4-8-17(9-5-15)33-18-10-6-16(26)7-11-18/h3-11,13,19H,1-2,12H2,(H,30,32)(H2,27,28,29)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human BTK using Poly(Glu, Tyr) 4:1 as substrate after 1 hr by ELISA				J Med Chem 61: 4608-4627 (2018) Article DOI: 10.1021/acs.jmedchem.8b00441 BindingDB Entry DOI: 10.7270/Q2B85BRC
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