BDBM50059430 CHEMBL3393488

SMILES: CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cccc5[nH]4)o3)C3=C(CNCC3=O)Nc12

InChI Key: InChIKey=MCNLSPGHMDHVBM-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 = 50059430   

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))	BDBM50059430 (CHEMBL3393488) Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cccc5[nH]4)o3)C3=C(CNCC3=O)Nc12 |t:29| Show InChI InChI=1S/C24H20FN5O4S/c1-2-33-23(32)22-20-11(8-27-22)18(19-14(28-20)9-26-10-15(19)31)16-6-7-17(34-16)35-24-29-13-5-3-4-12(25)21(13)30-24/h3-8,18,26-28H,2,9-10H2,1H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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
Aurora kinase A (Homo sapiens (Human))	BDBM50059430 (CHEMBL3393488) Show SMILES CCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)cccc5[nH]4)o3)C3=C(CNCC3=O)Nc12 |t:29| Show InChI InChI=1S/C24H20FN5O4S/c1-2-33-23(32)22-20-11(8-27-22)18(19-14(28-20)9-26-10-15(19)31)16-6-7-17(34-16)35-24-29-13-5-3-4-12(25)21(13)30-24/h3-8,18,26-28H,2,9-10H2,1H3,(H,29,30)	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	21	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