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 = 'BDBM50131212'   

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))	BDBM50131212 (CHEMBL3634531) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3cccc(c3)C(F)(F)F)c12 Show InChI InChI=1S/C26H22F3N5O2/c27-26(28,29)19-4-1-3-18(15-19)25(36)34-13-11-33(12-14-34)24(35)17-9-7-16(8-10-17)20-5-2-6-21-22(20)23(30)32-31-21/h1-10,15H,11-14H2,(H3,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.76E+3	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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50131212 (CHEMBL3634531) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3cccc(c3)C(F)(F)F)c12 Show InChI InChI=1S/C26H22F3N5O2/c27-26(28,29)19-4-1-3-18(15-19)25(36)34-13-11-33(12-14-34)24(35)17-9-7-16(8-10-17)20-5-2-6-21-22(20)23(30)32-31-21/h1-10,15H,11-14H2,(H3,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.46E+4	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