BDBM86602 Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 8

SMILES: CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1

InChI Key: InChIKey=VIVMIDXUVLTISY-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 = 86602   

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))	BDBM86602 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 8) Show SMILES CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1 Show InChI InChI=1S/C27H31N7O2/c1-4-33-13-15-34(16-14-33)24(35)17-19-9-11-20(12-10-19)29-27-28-18-23-25(30-27)31(2)22-8-6-5-7-21(22)26(36)32(23)3/h5-12,18H,4,13-17H2,1-3H3,(H,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18.7	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))	BDBM86602 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 8) Show SMILES CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1 Show InChI InChI=1S/C27H31N7O2/c1-4-33-13-15-34(16-14-33)24(35)17-19-9-11-20(12-10-19)29-27-28-18-23-25(30-27)31(2)22-8-6-5-7-21(22)26(36)32(23)3/h5-12,18H,4,13-17H2,1-3H3,(H,28,29,30)	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	6.10	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