Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50345591   

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))	BDBM50345591 (3-((2-(cyclopropylamino)pyrimidin-5-yl)ethynyl)-4-...) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc(NC4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H31F3N6O/c1-20-3-5-23(15-22(20)6-4-21-17-34-29(35-18-21)37-25-9-10-25)28(40)36-26-8-7-24(27(16-26)30(31,32)33)19-39-13-11-38(2)12-14-39/h3,5,7-8,15-18,25H,9-14,19H2,1-2H3,(H,36,40)(H,34,35,37)	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	50	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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