BDBM50096116 CHEMBL3593295

SMILES: CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)c3ccccc3)cc2)nc(C)n1

InChI Key: InChIKey=BLHRYSFUVASEBI-UHFFFAOYSA-N

Data: 3 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50096116   

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))	BDBM50096116 (CHEMBL3593295) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)c3ccccc3)cc2)nc(C)n1 Show InChI InChI=1S/C27H29N7OS/c1-3-33-13-15-34(16-14-33)25-17-24(29-19(2)30-25)32-27-28-18-23(36-27)20-9-11-22(12-10-20)31-26(35)21-7-5-4-6-8-21/h4-12,17-18H,3,13-16H2,1-2H3,(H,31,35)(H,28,29,30,32)	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 recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide a...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50096116 (CHEMBL3593295) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)c3ccccc3)cc2)nc(C)n1 Show InChI InChI=1S/C27H29N7OS/c1-3-33-13-15-34(16-14-33)25-17-24(29-19(2)30-25)32-27-28-18-23(36-27)20-9-11-22(12-10-20)31-26(35)21-7-5-4-6-8-21/h4-12,17-18H,3,13-16H2,1-2H3,(H,31,35)(H,28,29,30,32)	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	140	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged Aurora-A kinase domain (S123 to S401) (unknown origin) expressed in insect Sf9 cells using tetra(LRRASLG) peptid...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50096116 (CHEMBL3593295) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)c3ccccc3)cc2)nc(C)n1 Show InChI InChI=1S/C27H29N7OS/c1-3-33-13-15-34(16-14-33)25-17-24(29-19(2)30-25)32-27-28-18-23(36-27)20-9-11-22(12-10-20)31-26(35)21-7-5-4-6-8-21/h4-12,17-18H,3,13-16H2,1-2H3,(H,31,35)(H,28,29,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	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 GST-tagged FLT3 kinase domain (Y567 to S993) (unknown origin) expressed in baculovirus infected insect Sf9 cells using Her2 p...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					More data for this Ligand-Target Pair