BDBM50277831 5-(6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-ylamino)-N-phenylthiophene-2-carboxamide::CHEMBL485337

SMILES: COc1cc2c(Nc3ccc(s3)C(=O)Nc3ccccc3)ncnc2cc1OCCCN1CCOCC1

InChI Key: InChIKey=RPSFIQJOUUTWRS-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 = 50277831   

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))	BDBM50277831 (5-(6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-y...) Show SMILES COc1cc2c(Nc3ccc(s3)C(=O)Nc3ccccc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H29N5O4S/c1-34-22-16-20-21(17-23(22)36-13-5-10-32-11-14-35-15-12-32)28-18-29-26(20)31-25-9-8-24(37-25)27(33)30-19-6-3-2-4-7-19/h2-4,6-9,16-18H,5,10-15H2,1H3,(H,30,33)(H,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				J Med Chem 52: 2629-51 (2009) Checked by Author Article DOI: 10.1021/jm8012129 BindingDB Entry DOI: 10.7270/Q2B85920
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50277831 (5-(6-methoxy-7-(3-morpholinopropoxy)quinazolin-4-y...) Show SMILES COc1cc2c(Nc3ccc(s3)C(=O)Nc3ccccc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C27H29N5O4S/c1-34-22-16-20-21(17-23(22)36-13-5-10-32-11-14-35-15-12-32)28-18-29-26(20)31-25-9-8-24(37-25)27(33)30-19-6-3-2-4-7-19/h2-4,6-9,16-18H,5,10-15H2,1H3,(H,30,33)(H,28,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				J Med Chem 52: 2629-51 (2009) Checked by Author Article DOI: 10.1021/jm8012129 BindingDB Entry DOI: 10.7270/Q2B85920
					More data for this Ligand-Target Pair