BDBM50434611 CHEMBL2386806

SMILES: CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(on3)C(C)(C)C)cc2)nc(C)n1

InChI Key: InChIKey=CTKQPPMTGQKFRE-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 = 50434611   

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 A (Homo sapiens (Human))	BDBM50434611 (CHEMBL2386806) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(on3)C(C)(C)C)cc2)nc(C)n1 Show InChI InChI=1S/C28H36N10O2/c1-18-30-23(16-26(31-18)38-12-10-37(5)11-13-38)32-24-14-21(34-35-24)20-8-6-19(7-9-20)17-29-27(39)33-25-15-22(40-36-25)28(2,3)4/h6-9,14-16H,10-13,17H2,1-5H3,(H2,29,33,36,39)(H2,30,31,32,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged Aurora A kinase (123 to 401) (unknown origin) transfected in insect sf9 cells after 90 mins by wallac counting a...				Bioorg Med Chem 21: 2856-67 (2013) Article DOI: 10.1016/j.bmc.2013.03.083 BindingDB Entry DOI: 10.7270/Q22N53NF
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50434611 (CHEMBL2386806) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)Nc3cc(on3)C(C)(C)C)cc2)nc(C)n1 Show InChI InChI=1S/C28H36N10O2/c1-18-30-23(16-26(31-18)38-12-10-37(5)11-13-38)32-24-14-21(34-35-24)20-8-6-19(7-9-20)17-29-27(39)33-25-15-22(40-36-25)28(2,3)4/h6-9,14-16H,10-13,17H2,1-5H3,(H2,29,33,36,39)(H2,30,31,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type GST tagged FLT3 kinase (567 to 993) (unknown origin) transfected in insect sf9 cells after 4 hrs by wallac counting analysis				Bioorg Med Chem 21: 2856-67 (2013) Article DOI: 10.1016/j.bmc.2013.03.083 BindingDB Entry DOI: 10.7270/Q22N53NF
					More data for this Ligand-Target Pair