Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Breakpoint cluster region protein/Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50131210'   

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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131210 (CHEMBL3634533) Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C26H25N5O3/c1-34-20-11-9-19(10-12-20)26(33)31-15-13-30(14-16-31)25(32)18-7-5-17(6-8-18)21-3-2-4-22-23(21)24(27)29-28-22/h2-12H,13-16H2,1H3,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of wild type Bcr-Abl (unknown origin) by ADP-Glo assay				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131210 (CHEMBL3634533) Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C26H25N5O3/c1-34-20-11-9-19(10-12-20)26(33)31-15-13-30(14-16-31)25(32)18-7-5-17(6-8-18)21-3-2-4-22-23(21)24(27)29-28-22/h2-12H,13-16H2,1H3,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) Article DOI: 10.1016/j.ejmech.2015.09.034 BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair