BDBM50389229 CHEMBL2063318

SMILES: CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Oc2ccccc2)cc1

InChI Key: InChIKey=BZUUUPJMATYANA-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50389229   

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))	BDBM50389229 (CHEMBL2063318) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Oc2ccccc2)cc1 Show InChI InChI=1S/C28H28N6O3/c1-33-15-17-34(18-16-33)23-13-9-21(10-14-23)27(35)30-26-19-25(31-32-26)20-7-11-22(12-8-20)29-28(36)37-24-5-3-2-4-6-24/h2-14,19H,15-18H2,1H3,(H,29,36)(H2,30,31,32,35)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora A				Bioorg Med Chem Lett 22: 4654-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.116 BindingDB Entry DOI: 10.7270/Q2XS5WGV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50389229 (CHEMBL2063318) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Oc2ccccc2)cc1 Show InChI InChI=1S/C28H28N6O3/c1-33-15-17-34(18-16-33)23-13-9-21(10-14-23)27(35)30-26-19-25(31-32-26)20-7-11-22(12-8-20)29-28(36)37-24-5-3-2-4-6-24/h2-14,19H,15-18H2,1H3,(H,29,36)(H2,30,31,32,35)	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	180	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of VEGFR2				Bioorg Med Chem Lett 22: 4654-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.116 BindingDB Entry DOI: 10.7270/Q2XS5WGV
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50389229 (CHEMBL2063318) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Oc2ccccc2)cc1 Show InChI InChI=1S/C28H28N6O3/c1-33-15-17-34(18-16-33)23-13-9-21(10-14-23)27(35)30-26-19-25(31-32-26)20-7-11-22(12-8-20)29-28(36)37-24-5-3-2-4-6-24/h2-14,19H,15-18H2,1H3,(H,29,36)(H2,30,31,32,35)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of VEGFR1				Bioorg Med Chem Lett 22: 4654-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.116 BindingDB Entry DOI: 10.7270/Q2XS5WGV
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50389229 (CHEMBL2063318) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(NC(=O)Oc2ccccc2)cc1 Show InChI InChI=1S/C28H28N6O3/c1-33-15-17-34(18-16-33)23-13-9-21(10-14-23)27(35)30-26-19-25(31-32-26)20-7-11-22(12-8-20)29-28(36)37-24-5-3-2-4-6-24/h2-14,19H,15-18H2,1H3,(H,29,36)(H2,30,31,32,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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 FLT3				Bioorg Med Chem Lett 22: 4654-9 (2012) Article DOI: 10.1016/j.bmcl.2012.05.116 BindingDB Entry DOI: 10.7270/Q2XS5WGV
					More data for this Ligand-Target Pair