Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM202149'   

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))	BDBM202149 (US9233983, I-19) Show SMILES OCc1c(cc(F)cc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCN(CC(F)F)CC2)cn1)N1CCOc2cc(cc(F)c2C1=O)C1CC1 Show InChI InChI=1S/C38H36F4N6O3/c39-25-15-27(29(21-49)33(16-25)48-11-12-51-34-14-24(23-2-3-23)13-30(40)36(34)38(48)50)26-5-6-43-37-28(26)17-32(45-37)31-4-1-22(18-44-31)19-46-7-9-47(10-8-46)20-35(41)42/h1,4-6,13-18,23,35,49H,2-3,7-12,19-21H2,(H,43,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
ADVINUS THERAPEUTICS LIMITED US Patent					Assay Description The inhibition assays were performed using the generic tyrosine kinase assay kit from C is Bio (HTRF KinEASE-TK #62TK0PEB). The assay is based on t...				US Patent US9233983 (2016) BindingDB Entry DOI: 10.7270/Q22J69PQ
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