Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50345582'   

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))	BDBM50345582 (2-(4-(4-(3-((2-carbamoyl-1-methyl-1H-imidazol-5-yl...) Show SMILES Cc1ccc(cc1C#Cc1cnc(C(N)=O)n1C)C(=O)Nc1ccc(CN2CCN(CC(O)=O)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C29H29F3N6O4/c1-18-3-4-20(13-19(18)6-8-23-15-34-27(26(33)41)36(23)2)28(42)35-22-7-5-21(24(14-22)29(30,31)32)16-37-9-11-38(12-10-37)17-25(39)40/h3-5,7,13-15H,9-12,16-17H2,1-2H3,(H2,33,41)(H,35,42)(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of wild type human ABL using [EAIYAAPFAKKK] peptide substrate by Hotspot assay				Bioorg Med Chem Lett 21: 3743-8 (2011) Article DOI: 10.1016/j.bmcl.2011.04.060 BindingDB Entry DOI: 10.7270/Q21G0MM8
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