BDBM50011200 CHEMBL3260327

SMILES: CCOC(=O)c1cnccc1Nc1nc(ncc1Oc1ccccc1C(=O)OCC)-c1nn(Cc2ccccc2F)c2CCCc12

InChI Key: InChIKey=MUWIFASJZRARST-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 = 50011200   

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
Mitotic checkpoint serine/threonine-protein kinase BUB1 (Homo sapiens (Human))	BDBM50011200 (CHEMBL3260327) Show SMILES CCOC(=O)c1cnccc1Nc1nc(ncc1Oc1ccccc1C(=O)OCC)-c1nn(Cc2ccccc2F)c2CCCc12 Show InChI InChI=1S/C34H31FN6O5/c1-3-44-33(42)23-11-6-8-15-28(23)46-29-19-37-32(39-31(29)38-26-16-17-36-18-24(26)34(43)45-4-2)30-22-12-9-14-27(22)41(40-30)20-21-10-5-7-13-25(21)35/h5-8,10-11,13,15-19H,3-4,9,12,14,20H2,1-2H3,(H,36,37,38,39)	PDB MMDB Reactome pathway KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of Bub1 kinase (unknown origin) by TR-FRET kinase assay				ACS Med Chem Lett 5: 280-1 (2014) Article DOI: 10.1021/ml5000492 BindingDB Entry DOI: 10.7270/Q2XG9SN8
					More data for this Ligand-Target Pair