BDBM92868 4-Aminoquinazoline derivative, 6b

SMILES: Cc1ccc(Nc2ncnc3cc(OCCCN4CCCCC4)ccc23)cc1Nc1ncc(cn1)-c1cccnc1

InChI Key: InChIKey=VTMZVLJPBOBMNY-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 = 92868   

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))	BDBM92868 (4-Aminoquinazoline derivative, 6b) Show SMILES Cc1ccc(Nc2ncnc3cc(OCCCN4CCCCC4)ccc23)cc1Nc1ncc(cn1)-c1cccnc1 Show InChI InChI=1S/C32H34N8O/c1-23-8-9-26(17-29(23)39-32-34-20-25(21-35-32)24-7-5-12-33-19-24)38-31-28-11-10-27(18-30(28)36-22-37-31)41-16-6-15-40-13-3-2-4-14-40/h5,7-12,17-22H,2-4,6,13-16H2,1H3,(H,34,35,39)(H,36,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	489	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University					Assay Description The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.				Chem Biol Drug Des 81: 399-407 (2013) Article DOI: 10.1111/cbdd.12089 BindingDB Entry DOI: 10.7270/Q2Z31X71
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM92868 (4-Aminoquinazoline derivative, 6b) Show SMILES Cc1ccc(Nc2ncnc3cc(OCCCN4CCCCC4)ccc23)cc1Nc1ncc(cn1)-c1cccnc1 Show InChI InChI=1S/C32H34N8O/c1-23-8-9-26(17-29(23)39-32-34-20-25(21-35-32)24-7-5-12-33-19-24)38-31-28-11-10-27(18-30(28)36-22-37-31)41-16-6-15-40-13-3-2-4-14-40/h5,7-12,17-22H,2-4,6,13-16H2,1H3,(H,34,35,39)(H,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	323	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University					Assay Description The kinase assay of Aurora A and B was measured using HTRF-kinEASE-STK discovery kit purchased from Cisbio.				Chem Biol Drug Des 81: 399-407 (2013) Article DOI: 10.1111/cbdd.12089 BindingDB Entry DOI: 10.7270/Q2Z31X71
					More data for this Ligand-Target Pair