BDBM26279 N-(3-cyanophenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1H-pyrazol-5-yl}acetamide::pyrazoloquinazoline deriv., 13

SMILES: COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)C#N)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1

InChI Key: InChIKey=RKEDDEYMKFGVCU-UHFFFAOYSA-N

Data: 2 KI

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 = 26279   

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))	BDBM26279 (N-(3-cyanophenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)pi...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)C#N)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1 Show InChI InChI=1S/C30H34N8O4/c1-41-26-15-24-25(16-27(26)42-11-3-8-38-9-6-20(18-39)7-10-38)32-19-33-30(24)35-28-13-23(36-37-28)14-29(40)34-22-5-2-4-21(12-22)17-31/h2,4-5,12-13,15-16,19-20,39H,3,6-11,14,18H2,1H3,(H,34,40)(H2,32,33,35,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	83	-9.56	n/a	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora B bound to INCENP was incubated at room temperature with substrate, and test compounds in the presence...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM26279 (N-(3-cyanophenyl)-2-{3-[(7-{3-[4-(hydroxymethyl)pi...) Show SMILES COc1cc2c(Nc3cc(CC(=O)Nc4cccc(c4)C#N)n[nH]3)ncnc2cc1OCCCN1CCC(CO)CC1 Show InChI InChI=1S/C30H34N8O4/c1-41-26-15-24-25(16-27(26)42-11-3-8-38-9-6-20(18-39)7-10-38)32-19-33-30(24)35-28-13-23(36-37-28)14-29(40)34-22-5-2-4-21(12-22)17-31/h2,4-5,12-13,15-16,19-20,39H,3,6-11,14,18H2,1H3,(H,34,40)(H2,32,33,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60E+3	-7.61	n/a	n/a	n/a	n/a	n/a	n/a	25
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora A purified from Sf9 cells was incubated at room temperature with substrate, and test compounds in the ...				J Med Chem 50: 2213-24 (2007) Article DOI: 10.1021/jm061335f BindingDB Entry DOI: 10.7270/Q2GQ6W24
					More data for this Ligand-Target Pair