Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50451285'   

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 (Mus musculus)	BDBM50451285 (CHEMBL4214040) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CO)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-9-11-31(12-10-30)17-5-8-20(21(13-17)34-2)28-24-26-14-19(25)23(29-24)35-18-6-3-16(4-7-18)27-22(33)15-32/h3-8,13-14,32H,9-12,15H2,1-2H3,(H,27,33)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL T315I mutant in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Mus musculus)	BDBM50451285 (CHEMBL4214040) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Oc2ccc(NC(=O)CO)cc2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27ClN6O4/c1-30-9-11-31(12-10-30)17-5-8-20(21(13-17)34-2)28-24-26-14-19(25)23(29-24)35-18-6-3-16(4-7-18)27-22(33)15-32/h3-8,13-14,32H,9-12,15H2,1-2H3,(H,27,33)(H,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of ABL in mouse BAF3 cells assessed as reduction in cell viability after 72 hrs by MTT assay				Bioorg Med Chem Lett 27: 4832-4837 (2017) Article DOI: 10.1016/j.bmcl.2017.09.048 BindingDB Entry DOI: 10.7270/Q22Z183X
					More data for this Ligand-Target Pair