Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50279265'   

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))	BDBM50279265 (CHEMBL4162041) Show SMILES COC(=O)C1CCN(C1)c1ncc(cc1-c1ccn[nH]1)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 Show InChI InChI=1S/C22H20ClF2N5O4/c1-33-21(32)13-7-9-30(12-13)19-17(18-6-8-27-29-18)10-14(11-26-19)20(31)28-15-2-4-16(5-3-15)34-22(23,24)25/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,27,29)(H,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged full length ABL1 allosteric site expressed in baculovirus expression system by TR-FRET assay				ACS Med Chem Lett 8: 1042-1047 (2017) Article DOI: 10.1021/acsmedchemlett.7b00247 BindingDB Entry DOI: 10.7270/Q2XG9TNP
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