BDBM50389233 CHEMBL2063323

SMILES: CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)OCc2ccccc2)cc1

InChI Key: InChIKey=YADAQXVHBLKOIU-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 = 50389233   

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))	BDBM50389233 (CHEMBL2063323) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C30H32N6O3/c1-35-15-17-36(18-16-35)26-13-11-25(12-14-26)29(37)32-28-19-27(33-34-28)24-9-7-22(8-10-24)20-31-30(38)39-21-23-5-3-2-4-6-23/h2-14,19H,15-18,20-21H2,1H3,(H,31,38)(H2,32,33,34,37)	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	880	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))	BDBM50389233 (CHEMBL2063323) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C30H32N6O3/c1-35-15-17-36(18-16-35)26-13-11-25(12-14-26)29(37)32-28-19-27(33-34-28)24-9-7-22(8-10-24)20-31-30(38)39-21-23-5-3-2-4-6-23/h2-14,19H,15-18,20-21H2,1H3,(H,31,38)(H2,32,33,34,37)	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	100	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))	BDBM50389233 (CHEMBL2063323) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C30H32N6O3/c1-35-15-17-36(18-16-35)26-13-11-25(12-14-26)29(37)32-28-19-27(33-34-28)24-9-7-22(8-10-24)20-31-30(38)39-21-23-5-3-2-4-6-23/h2-14,19H,15-18,20-21H2,1H3,(H,31,38)(H2,32,33,34,37)	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	20	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))	BDBM50389233 (CHEMBL2063323) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)-c1ccc(CNC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C30H32N6O3/c1-35-15-17-36(18-16-35)26-13-11-25(12-14-26)29(37)32-28-19-27(33-34-28)24-9-7-22(8-10-24)20-31-30(38)39-21-23-5-3-2-4-6-23/h2-14,19H,15-18,20-21H2,1H3,(H,31,38)(H2,32,33,34,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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