BDBM86600 Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 5

SMILES: CC1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1

InChI Key: InChIKey=BOQOQFWDFXIKGR-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 = 86600   

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))	BDBM86600 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 5) Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1 Show InChI InChI=1S/C25H28N6O3S/c1-17-12-14-31(15-13-17)35(33,34)19-10-8-18(9-11-19)27-25-26-16-22-23(28-25)29(2)21-7-5-4-6-20(21)24(32)30(22)3/h4-11,16-17H,12-15H2,1-3H3,(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45.1	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))	BDBM86600 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 5) Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)cc1 Show InChI InChI=1S/C25H28N6O3S/c1-17-12-14-31(15-13-17)35(33,34)19-10-8-18(9-11-19)27-25-26-16-22-23(28-25)29(2)21-7-5-4-6-20(21)24(32)30(22)3/h4-11,16-17H,12-15H2,1-3H3,(H,26,27,28)	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	16.8	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