Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50462188'   

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 ABL1 (Homo sapiens (Human))	BDBM50462188 (CHEMBL4248365) Show SMILES CCn1nc(C#Cc2cccc3cc(ncc23)-c2cccc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C25H17F3N6/c1-2-34-24-22(23(29)31-14-32-24)20(33-34)10-9-15-5-3-6-16-12-21(30-13-19(15)16)17-7-4-8-18(11-17)25(26,27)28/h3-8,11-14H,2H2,1H3,(H2,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibition of ABL (unknown origin) by phosphocellulose paper disk assay				Eur J Med Chem 146: 519-528 (2018) Article DOI: 10.1016/j.ejmech.2018.01.053 BindingDB Entry DOI: 10.7270/Q23N261S
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