BDBM50389230 CHEMBL2063320

SMILES: O=C(Nc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCCC3)cc2)[nH]n1)Oc1ccccc1

InChI Key: InChIKey=COAWOLGBXJWLNS-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 = 50389230   

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))	BDBM50389230 (CHEMBL2063320) Show SMILES O=C(Nc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCCC3)cc2)[nH]n1)Oc1ccccc1 Show InChI InChI=1S/C29H29N5O4/c35-28(22-10-14-24(15-11-22)37-19-18-34-16-4-5-17-34)31-27-20-26(32-33-27)21-8-12-23(13-9-21)30-29(36)38-25-6-2-1-3-7-25/h1-3,6-15,20H,4-5,16-19H2,(H,30,36)(H2,31,32,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50389230 (CHEMBL2063320) Show SMILES O=C(Nc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCCC3)cc2)[nH]n1)Oc1ccccc1 Show InChI InChI=1S/C29H29N5O4/c35-28(22-10-14-24(15-11-22)37-19-18-34-16-4-5-17-34)31-27-20-26(32-33-27)21-8-12-23(13-9-21)30-29(36)38-25-6-2-1-3-7-25/h1-3,6-15,20H,4-5,16-19H2,(H,30,36)(H2,31,32,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	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))	BDBM50389230 (CHEMBL2063320) Show SMILES O=C(Nc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCCC3)cc2)[nH]n1)Oc1ccccc1 Show InChI InChI=1S/C29H29N5O4/c35-28(22-10-14-24(15-11-22)37-19-18-34-16-4-5-17-34)31-27-20-26(32-33-27)21-8-12-23(13-9-21)30-29(36)38-25-6-2-1-3-7-25/h1-3,6-15,20H,4-5,16-19H2,(H,30,36)(H2,31,32,33,35)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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))	BDBM50389230 (CHEMBL2063320) Show SMILES O=C(Nc1ccc(cc1)-c1cc(NC(=O)c2ccc(OCCN3CCCC3)cc2)[nH]n1)Oc1ccccc1 Show InChI InChI=1S/C29H29N5O4/c35-28(22-10-14-24(15-11-22)37-19-18-34-16-4-5-17-34)31-27-20-26(32-33-27)21-8-12-23(13-9-21)30-29(36)38-25-6-2-1-3-7-25/h1-3,6-15,20H,4-5,16-19H2,(H,30,36)(H2,31,32,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	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