Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50543374'   

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))	BDBM50543374 (CHEMBL4638921) Show SMILES COCC(=O)Nc1cc(cn(C)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO Show InChI InChI=1S/C27H31N5O5/c1-27(2)11-16-10-21-26(36)32(8-7-31(21)22(16)12-27)24-19(14-33)18(5-6-28-24)17-9-20(25(35)30(3)13-17)29-23(34)15-37-4/h5-6,9-10,13,33H,7-8,11-12,14-15H2,1-4H3,(H,29,34)	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	74	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
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