BDBM86616 Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 22

SMILES: COc1cc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)ccc1C(=O)N1CCN(O)CC1

InChI Key: InChIKey=RWCPLVNQNAADEI-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 = 86616   

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))	BDBM86616 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...) Show SMILES COc1cc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)ccc1C(=O)N1CCN(O)CC1 Show InChI InChI=1S/C25H27N7O4/c1-29-19-7-5-4-6-17(19)23(33)30(2)20-15-26-25(28-22(20)29)27-16-8-9-18(21(14-16)36-3)24(34)31-10-12-32(35)13-11-31/h4-9,14-15,35H,10-13H2,1-3H3,(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	24.2	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))	BDBM86616 (Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 2...) Show SMILES COc1cc(Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)ccc1C(=O)N1CCN(O)CC1 Show InChI InChI=1S/C25H27N7O4/c1-29-19-7-5-4-6-17(19)23(33)30(2)20-15-26-25(28-22(20)29)27-16-8-9-18(21(14-16)36-3)24(34)31-10-12-32(35)13-11-31/h4-9,14-15,35H,10-13H2,1-3H3,(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	2.60	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