BDBM50052020 CHEMBL3322580

SMILES: OCCn1cccc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O

InChI Key: InChIKey=LFTYGPMTDFTUPQ-BOPFTXTBSA-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 = 50052020   

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
Aurora kinase B (Homo sapiens (Human))	BDBM50052020 (CHEMBL3322580) Show SMILES OCCn1cccc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O Show InChI InChI=1S/C21H18N4O4/c26-10-9-25-8-2-4-16(21(25)29)19(27)23-14-5-6-15-17(11-13-3-1-7-22-13)20(28)24-18(15)12-14/h1-8,11-12,22,26H,9-10H2,(H,23,27)(H,24,28)/b17-11-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay				Eur J Med Chem 84: 312-34 (2014) Article DOI: 10.1016/j.ejmech.2014.07.033 BindingDB Entry DOI: 10.7270/Q2RV0QB7
					More data for this Ligand-Target Pair