BDBM86601 Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 7

SMILES: CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1

InChI Key: InChIKey=QDKAHXFKNDNBHM-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 = 86601   

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))	BDBM86601 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 7) Show SMILES CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1 Show InChI InChI=1S/C26H29N7O2/c1-4-32-13-15-33(16-14-32)24(34)18-9-11-19(12-10-18)28-26-27-17-22-23(29-26)30(2)21-8-6-5-7-20(21)25(35)31(22)3/h5-12,17H,4,13-16H2,1-3H3,(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	15.2	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))	BDBM86601 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 7) Show SMILES CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1 Show InChI InChI=1S/C26H29N7O2/c1-4-32-13-15-33(16-14-32)24(34)18-9-11-19(12-10-18)28-26-27-17-22-23(29-26)30(2)21-8-6-5-7-20(21)25(35)31(22)3/h5-12,17H,4,13-16H2,1-3H3,(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	5.90	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