BDBM50503750 CHEMBL4516770

SMILES: [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccc(cc3)-[#6](=O)-[#7]-c3ccc(Cl)cc3)n2)-[#7+](-[#8-])=O)cc1

InChI Key: InChIKey=OFQQKWZSBYDFHM-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 = 50503750   

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))	BDBM50503750 (CHEMBL4516770) Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccc(cc3)-[#6](=O)-[#7]-c3ccc(Cl)cc3)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C33H34ClN8O5/c1-32(2)17-26(18-33(3,4)42(32)47)38-30(44)21-7-13-25(14-8-21)39-31-35-19-27(41(45)46)28(40-31)36-23-11-5-20(6-12-23)29(43)37-24-15-9-22(34)10-16-24/h5-16,19,26H,17-18H2,1-4H3,(H,37,43)(H,38,44)(H2,35,36,39,40)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Inhibition of Aurora B (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method				Bioorg Med Chem 27: 65-78 (2019) Article DOI: 10.1016/j.bmc.2018.11.006
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50503750 (CHEMBL4516770) Show SMILES [#6]C1([#6])[#6]-[#6](-[#6]C([#6])([#6])[#7]1-[#8;v1])-[#7]-[#6](=O)-c1ccc(-[#7]-c2ncc(c(-[#7]-c3ccc(cc3)-[#6](=O)-[#7]-c3ccc(Cl)cc3)n2)-[#7+](-[#8-])=O)cc1 |^1:10| Show InChI InChI=1S/C33H34ClN8O5/c1-32(2)17-26(18-33(3,4)42(32)47)38-30(44)21-7-13-25(14-8-21)39-31-35-19-27(41(45)46)28(40-31)36-23-11-5-20(6-12-23)29(43)37-24-15-9-22(34)10-16-24/h5-16,19,26H,17-18H2,1-4H3,(H,37,43)(H,38,44)(H2,35,36,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using kemptide acetate salt as substrate after 30 mins by kinase-Glo luminescence method				Bioorg Med Chem 27: 65-78 (2019) Article DOI: 10.1016/j.bmc.2018.11.006
					More data for this Ligand-Target Pair