BDBM50437685 CHEMBL2408497

SMILES: Oc1cc(OCC(=O)Nc2ccccn2)cc2oc(cc(=O)c12)-c1ccccc1

InChI Key: InChIKey=GYMXKFUFOSAHPS-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50437685   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50437685 (CHEMBL2408497) Show SMILES Oc1cc(OCC(=O)Nc2ccccn2)cc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C22H16N2O5/c25-16-10-15(28-13-21(27)24-20-8-4-5-9-23-20)11-19-22(16)17(26)12-18(29-19)14-6-2-1-3-7-14/h1-12,25H,13H2,(H,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of wild-type ABL1 (unknown origin)				Bioorg Med Chem Lett 23: 4324-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.095 BindingDB Entry DOI: 10.7270/Q2XS5WTB
					More data for this Ligand-Target Pair