Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50459090'   

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))	BDBM50459090 (CHEMBL4213152) Show SMILES O[C@@H]1CCN(C1)c1ncc(cc1-c1[nH]ncc1F)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r| Show InChI InChI=1S/C20H17ClF3N5O3/c21-20(23,24)32-14-3-1-12(2-4-14)27-19(31)11-7-15(17-16(22)9-26-28-17)18(25-8-11)29-6-5-13(30)10-29/h1-4,7-9,13,30H,5-6,10H2,(H,26,28)(H,27,31)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ABL1 (64 to 515 residues)(unknown origin) expressed in Escherichia coli using FITC-Ahx-EAIYAAPFAKKK-NH2 peptide as substrate after 60 m...				J Med Chem 61: 8120-8135 (2018) Article DOI: 10.1021/acs.jmedchem.8b01040 BindingDB Entry DOI: 10.7270/Q2FX7D3X
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