BDBM50389221 CHEMBL2063335

SMILES: CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3ccccc3)cc2)nc(C)n1

InChI Key: InChIKey=HRNJXVNMZJIOTD-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 = 50389221   

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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50389221 (CHEMBL2063335) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3ccccc3)cc2)nc(C)n1 Show InChI InChI=1S/C28H32N8O2/c1-20-30-25(17-27(31-20)36-14-12-35(2)13-15-36)32-26-16-24(33-34-26)23-10-8-21(9-11-23)18-29-28(37)38-19-22-6-4-3-5-7-22/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,29,37)(H2,30,31,32,33,34)	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	310	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
Aurora kinase A (Homo sapiens (Human))	BDBM50389221 (CHEMBL2063335) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3ccccc3)cc2)nc(C)n1 Show InChI InChI=1S/C28H32N8O2/c1-20-30-25(17-27(31-20)36-14-12-35(2)13-15-36)32-26-16-24(33-34-26)23-10-8-21(9-11-23)18-29-28(37)38-19-22-6-4-3-5-7-22/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,29,37)(H2,30,31,32,33,34)	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	430	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 1 (Homo sapiens (Human))	BDBM50389221 (CHEMBL2063335) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3ccccc3)cc2)nc(C)n1 Show InChI InChI=1S/C28H32N8O2/c1-20-30-25(17-27(31-20)36-14-12-35(2)13-15-36)32-26-16-24(33-34-26)23-10-8-21(9-11-23)18-29-28(37)38-19-22-6-4-3-5-7-22/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,29,37)(H2,30,31,32,33,34)	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	420	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))	BDBM50389221 (CHEMBL2063335) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)-c2ccc(CNC(=O)OCc3ccccc3)cc2)nc(C)n1 Show InChI InChI=1S/C28H32N8O2/c1-20-30-25(17-27(31-20)36-14-12-35(2)13-15-36)32-26-16-24(33-34-26)23-10-8-21(9-11-23)18-29-28(37)38-19-22-6-4-3-5-7-22/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,29,37)(H2,30,31,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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