BDBM86611 Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 17

SMILES: CN1CCN(CC1)c1cccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)c1

InChI Key: InChIKey=HNXLEVKZEPXIAQ-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 = 86611   

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))	BDBM86611 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)c1 Show InChI InChI=1S/C24H27N7O/c1-28-11-13-31(14-12-28)18-8-6-7-17(15-18)26-24-25-16-21-22(27-24)29(2)20-10-5-4-9-19(20)23(32)30(21)3/h4-10,15-16H,11-14H2,1-3H3,(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55.8	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM86611 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 1...) Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)c1 Show InChI InChI=1S/C24H27N7O/c1-28-11-13-31(14-12-28)18-8-6-7-17(15-18)26-24-25-16-21-22(27-24)29(2)20-10-5-4-9-19(20)23(32)30(21)3/h4-10,15-16H,11-14H2,1-3H3,(H,25,26,27)	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	11.9	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description In vitro kinase assay of Aurora A, B, and C using Z-LYTE technology (Invitrogen) and ATP at Km apparent for each kinase.				ACS Chem Biol 7: 185-96 (2012) Article DOI: 10.1021/cb200305u BindingDB Entry DOI: 10.7270/Q2PV6HZG
					More data for this Ligand-Target Pair