BDBM50059589 CHEMBL3393496

SMILES: CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1ccnc(Sc2nc3ccccc3[nH]2)c1

InChI Key: InChIKey=GYQCYDOLBHCMNM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50059589   

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 A (Homo sapiens (Human))	BDBM50059589 (CHEMBL3393496) Show SMILES CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1ccnc(Sc2nc3ccccc3[nH]2)c1 |t:10| Show InChI InChI=1S/C26H23N5O3S/c1-2-34-25(33)24-23-15(13-28-24)21(22-18(29-23)8-5-9-19(22)32)14-10-11-27-20(12-14)35-26-30-16-6-3-4-7-17(16)31-26/h3-4,6-7,10-13,21,28-29H,2,5,8-9H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of poly-histidine tagged full length recombinant aurora A (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...				J Med Chem 58: 362-75 (2015) Article DOI: 10.1021/jm501326k BindingDB Entry DOI: 10.7270/Q2T1559D
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50059589 (CHEMBL3393496) Show SMILES CCOC(=O)c1[nH]cc2C(C3=C(CCCC3=O)Nc12)c1ccnc(Sc2nc3ccccc3[nH]2)c1 |t:10| Show InChI InChI=1S/C26H23N5O3S/c1-2-34-25(33)24-23-15(13-28-24)21(22-18(29-23)8-5-9-19(22)32)14-10-11-27-20(12-14)35-26-30-16-6-3-4-7-17(16)31-26/h3-4,6-7,10-13,21,28-29H,2,5,8-9H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of poly-histidine tagged full length recombinant aurora B (unknown origin) assessed as phosphorylation of NuMA-histidine substrate by scin...				J Med Chem 58: 362-75 (2015) Article DOI: 10.1021/jm501326k BindingDB Entry DOI: 10.7270/Q2T1559D
					More data for this Ligand-Target Pair