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 = 'BDBM50131178'   

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))	BDBM50131178 (CHEMBL3634537) Show SMILES Cc1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C26H25N5O2/c1-17-5-2-3-6-20(17)26(33)31-15-13-30(14-16-31)25(32)19-11-9-18(10-12-19)21-7-4-8-22-23(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 Similars	Article PubMed	n/a	n/a	8.56E+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 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))	BDBM50131178 (CHEMBL3634537) Show SMILES Cc1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C26H25N5O2/c1-17-5-2-3-6-20(17)26(33)31-15-13-30(14-16-31)25(32)19-11-9-18(10-12-19)21-7-4-8-22-23(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 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