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 = 'BDBM50131176'   

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))	BDBM50131176 (CHEMBL3634539) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)NCCNC(=O)c3ccccc3Br)c12 Show InChI InChI=1S/C23H20BrN5O2/c24-18-6-2-1-4-17(18)23(31)27-13-12-26-22(30)15-10-8-14(9-11-15)16-5-3-7-19-20(16)21(25)29-28-19/h1-11H,12-13H2,(H,26,30)(H,27,31)(H3,25,28,29)	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	31	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 constant against Adenosine A2a receptor				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))	BDBM50131176 (CHEMBL3634539) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)NCCNC(=O)c3ccccc3Br)c12 Show InChI InChI=1S/C23H20BrN5O2/c24-18-6-2-1-4-17(18)23(31)27-13-12-26-22(30)15-10-8-14(9-11-15)16-5-3-7-19-20(16)21(25)29-28-19/h1-11H,12-13H2,(H,26,30)(H,27,31)(H3,25,28,29)	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	1.04E+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