BDBM50389237 CHEMBL2063327

SMILES: O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCCN3CCCC3)cc2)[nH]n1)OCc1ccccc1

InChI Key: InChIKey=JIJJAEDYERZRJB-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 = 50389237   

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))	BDBM50389237 (CHEMBL2063327) Show SMILES O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCCN3CCCC3)cc2)[nH]n1)OCc1ccccc1 Show InChI InChI=1S/C32H35N5O4/c38-31(27-13-15-28(16-14-27)40-20-6-19-37-17-4-5-18-37)34-30-21-29(35-36-30)26-11-9-24(10-12-26)22-33-32(39)41-23-25-7-2-1-3-8-25/h1-3,7-16,21H,4-6,17-20,22-23H2,(H,33,39)(H2,34,35,36,38)	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))	BDBM50389237 (CHEMBL2063327) Show SMILES O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCCN3CCCC3)cc2)[nH]n1)OCc1ccccc1 Show InChI InChI=1S/C32H35N5O4/c38-31(27-13-15-28(16-14-27)40-20-6-19-37-17-4-5-18-37)34-30-21-29(35-36-30)26-11-9-24(10-12-26)22-33-32(39)41-23-25-7-2-1-3-8-25/h1-3,7-16,21H,4-6,17-20,22-23H2,(H,33,39)(H2,34,35,36,38)	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	240	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))	BDBM50389237 (CHEMBL2063327) Show SMILES O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCCN3CCCC3)cc2)[nH]n1)OCc1ccccc1 Show InChI InChI=1S/C32H35N5O4/c38-31(27-13-15-28(16-14-27)40-20-6-19-37-17-4-5-18-37)34-30-21-29(35-36-30)26-11-9-24(10-12-26)22-33-32(39)41-23-25-7-2-1-3-8-25/h1-3,7-16,21H,4-6,17-20,22-23H2,(H,33,39)(H2,34,35,36,38)	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	180	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))	BDBM50389237 (CHEMBL2063327) Show SMILES O=C(NCc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCCN3CCCC3)cc2)[nH]n1)OCc1ccccc1 Show InChI InChI=1S/C32H35N5O4/c38-31(27-13-15-28(16-14-27)40-20-6-19-37-17-4-5-18-37)34-30-21-29(35-36-30)26-11-9-24(10-12-26)22-33-32(39)41-23-25-7-2-1-3-8-25/h1-3,7-16,21H,4-6,17-20,22-23H2,(H,33,39)(H2,34,35,36,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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