BDBM50264550 7-(5-(3-(4-ethylpiperazin-1-yl)propoxy)-1H-indol-2-yl)isoindolin-1-one::CHEMBL489820

SMILES: CCN1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1

InChI Key: InChIKey=YUDPJZYRAIXXMD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50264550   

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))	BDBM50264550 (7-(5-(3-(4-ethylpiperazin-1-yl)propoxy)-1H-indol-2...) Show SMILES CCN1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1 Show InChI InChI=1S/C25H30N4O2/c1-2-28-10-12-29(13-11-28)9-4-14-31-20-7-8-22-19(15-20)16-23(27-22)21-6-3-5-18-17-26-25(30)24(18)21/h3,5-8,15-16,27H,2,4,9-14,17H2,1H3,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Bioorg Med Chem Lett 18: 5130-3 (2008) Article DOI: 10.1016/j.bmcl.2008.07.090 BindingDB Entry DOI: 10.7270/Q2RF5TVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50264550 (7-(5-(3-(4-ethylpiperazin-1-yl)propoxy)-1H-indol-2...) Show SMILES CCN1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1 Show InChI InChI=1S/C25H30N4O2/c1-2-28-10-12-29(13-11-28)9-4-14-31-20-7-8-22-19(15-20)16-23(27-22)21-6-3-5-18-17-26-25(30)24(18)21/h3,5-8,15-16,27H,2,4,9-14,17H2,1H3,(H,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Bioorg Med Chem Lett 18: 5130-3 (2008) Article DOI: 10.1016/j.bmcl.2008.07.090 BindingDB Entry DOI: 10.7270/Q2RF5TVZ
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50264550 (7-(5-(3-(4-ethylpiperazin-1-yl)propoxy)-1H-indol-2...) Show SMILES CCN1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1 Show InChI InChI=1S/C25H30N4O2/c1-2-28-10-12-29(13-11-28)9-4-14-31-20-7-8-22-19(15-20)16-23(27-22)21-6-3-5-18-17-26-25(30)24(18)21/h3,5-8,15-16,27H,2,4,9-14,17H2,1H3,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin)				Bioorg Med Chem Lett 18: 5130-3 (2008) Article DOI: 10.1016/j.bmcl.2008.07.090 BindingDB Entry DOI: 10.7270/Q2RF5TVZ
					More data for this Ligand-Target Pair