BDBM86604 Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 9

SMILES: CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(OCc4ccccn4)cc3)nc12

InChI Key: InChIKey=HBAXHVRVIHMVIE-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 = 86604   

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))	BDBM86604 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 9) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(OCc4ccccn4)cc3)nc12 Show InChI InChI=1S/C25H22N6O2/c1-30-21-9-4-3-8-20(21)24(32)31(2)22-15-27-25(29-23(22)30)28-17-10-12-19(13-11-17)33-16-18-7-5-6-14-26-18/h3-15H,16H2,1-2H3,(H,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.3	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))	BDBM86604 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 9) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(Nc3ccc(OCc4ccccn4)cc3)nc12 Show InChI InChI=1S/C25H22N6O2/c1-30-21-9-4-3-8-20(21)24(32)31(2)22-15-27-25(29-23(22)30)28-17-10-12-19(13-11-17)33-16-18-7-5-6-14-26-18/h3-15H,16H2,1-2H3,(H,27,28,29)	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	18.4	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