BDBM86618 Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 24

SMILES: CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5N(C(C)C)c4n3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=VPXPFQKSFBPCEO-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 = 86618   

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))	BDBM86618 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5N(C(C)C)c4n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H34F3N7O/c1-5-37-12-14-38(15-13-37)18-20-10-11-21(16-23(20)29(30,31)32)34-28-33-17-25-26(35-28)39(19(2)3)24-9-7-6-8-22(24)27(40)36(25)4/h6-11,16-17,19H,5,12-15,18H2,1-4H3,(H,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	782	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))	BDBM86618 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc4N(C)C(=O)c5ccccc5N(C(C)C)c4n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H34F3N7O/c1-5-37-12-14-38(15-13-37)18-20-10-11-21(16-23(20)29(30,31)32)34-28-33-17-25-26(35-28)39(19(2)3)24-9-7-6-8-22(24)27(40)36(25)4/h6-11,16-17,19H,5,12-15,18H2,1-4H3,(H,33,34,35)	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	81.7	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