BDBM50052072 CHEMBL3322592

SMILES: COc1ccc(cc1)-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)c1=O

InChI Key: InChIKey=RICLINCDQFDMRO-JAIQZWGSSA-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 = 50052072   

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))	BDBM50052072 (CHEMBL3322592) Show SMILES COc1ccc(cc1)-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)c1=O Show InChI InChI=1S/C29H24N4O6/c1-14-23(31-15(2)25(14)29(37)38)11-20-19-9-6-17(10-24(19)33-27(20)35)32-28(36)22-13-30-12-21(26(22)34)16-4-7-18(39-3)8-5-16/h4-13,31H,1-3H3,(H,30,34)(H,32,36)(H,33,35)(H,37,38)/b20-11-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	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