Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50544961'   

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))	BDBM50544961 (CHEMBL4632839) Show SMILES CN1CCN(CC1)c1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3ccc(F)cc3)c2)c1 Show InChI InChI=1S/C29H29FN6O/c1-20-6-7-22(28(37)32-24-4-3-5-25(19-24)36-16-14-35(2)15-17-36)18-27(20)34-29-31-13-12-26(33-29)21-8-10-23(30)11-9-21/h3-13,18-19H,14-17H2,1-2H3,(H,32,37)(H,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nyrada Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged Abl (2 to 1130 residues) expressed in baculovirus expression system using FAM-labelled P2 pepti...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115344 BindingDB Entry DOI: 10.7270/Q2Z89H0P
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