Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50462185'   

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))	BDBM50462185 (CHEMBL4237900) Show SMILES CC(C)n1nc(C#Cc2cccc3cc(ncc23)-c2ccc(CN3CCN(C)CC3)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C31H32N8/c1-21(2)39-31-29(30(32)34-20-35-31)27(36-39)12-11-23-5-4-6-25-17-28(33-18-26(23)25)24-9-7-22(8-10-24)19-38-15-13-37(3)14-16-38/h4-10,17-18,20-21H,13-16,19H2,1-3H3,(H2,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	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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