Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50256927'   

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))	BDBM50256927 (CHEMBL475796 | N-(2-aminophenyl)-4-((4-methyl-3-(4...) Show SMILES Cc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C30H27N7O/c1-20-8-13-24(17-28(20)37-30-33-16-14-26(36-30)23-5-4-15-32-19-23)34-18-21-9-11-22(12-10-21)29(38)35-27-7-3-2-6-25(27)31/h2-17,19,34H,18,31H2,1H3,(H,35,38)(H,33,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2020.112904 BindingDB Entry DOI: 10.7270/Q2XP791Q
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50256927 (CHEMBL475796 | N-(2-aminophenyl)-4-((4-methyl-3-(4...) Show SMILES Cc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C30H27N7O/c1-20-8-13-24(17-28(20)37-30-33-16-14-26(36-30)23-5-4-15-32-19-23)34-18-21-9-11-22(12-10-21)29(38)35-27-7-3-2-6-25(27)31/h2-17,19,34H,18,31H2,1H3,(H,35,38)(H,33,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Inhibition of wild-type c-Abl (unknown origin) by liquid scintillation counting				J Med Chem 52: 2265-79 (2009) Article DOI: 10.1021/jm800988r BindingDB Entry DOI: 10.7270/Q2NS0TSP
					More data for this Ligand-Target Pair