Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50247371'   

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))	BDBM50247371 (CHEMBL454923 | N-benzyl-1-(2-chloro-2-phenylethyl)...) Show SMILES CCCSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C23H24ClN5S/c1-2-13-30-23-27-21(25-14-17-9-5-3-6-10-17)19-15-26-29(22(19)28-23)16-20(24)18-11-7-4-8-12-18/h3-12,15,20H,2,13-14,16H2,1H3,(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universit£t Curated by ChEMBL					Assay Description Inhibition of ABL1 (unknown origin)				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115238 BindingDB Entry DOI: 10.7270/Q2FN19R5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50247371 (CHEMBL454923 | N-benzyl-1-(2-chloro-2-phenylethyl)...) Show SMILES CCCSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1 Show InChI InChI=1S/C23H24ClN5S/c1-2-13-30-23-27-21(25-14-17-9-5-3-6-10-17)19-15-26-29(22(19)28-23)16-20(24)18-11-7-4-8-12-18/h3-12,15,20H,2,13-14,16H2,1H3,(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Genova Curated by ChEMBL					Assay Description Inhibition of human recombinant Abl by filter-binding assay				Eur J Med Chem 43: 2665-76 (2008) Article DOI: 10.1016/j.ejmech.2008.01.034 BindingDB Entry DOI: 10.7270/Q23J3CS2
					More data for this Ligand-Target Pair