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 = 'BDBM50131218'   

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))	BDBM50131218 (CHEMBL3634406) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3ccc(Cl)cc3Cl)c12 Show InChI InChI=1S/C25H21Cl2N5O2/c26-17-8-9-19(20(27)14-17)25(34)32-12-10-31(11-13-32)24(33)16-6-4-15(5-7-16)18-2-1-3-21-22(18)23(28)30-29-21/h1-9,14H,10-13H2,(H3,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	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))	BDBM50131218 (CHEMBL3634406) Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)N3CCN(CC3)C(=O)c3ccc(Cl)cc3Cl)c12 Show InChI InChI=1S/C25H21Cl2N5O2/c26-17-8-9-19(20(27)14-17)25(34)32-12-10-31(11-13-32)24(33)16-6-4-15(5-7-16)18-2-1-3-21-22(18)23(28)30-29-21/h1-9,14H,10-13H2,(H3,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	450	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