BDBM50264548 7-(1H-pyrrol-2-yl)isoindolin-1-one::CHEMBL491045

SMILES: O=C1NCc2cccc(-c3ccc[nH]3)c12

InChI Key: InChIKey=WKRPBUDNPJYGTO-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50264548   

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))	BDBM50264548 (7-(1H-pyrrol-2-yl)isoindolin-1-one | CHEMBL491045) Show SMILES O=C1NCc2cccc(-c3ccc[nH]3)c12 Show InChI InChI=1S/C12H10N2O/c15-12-11-8(7-14-12)3-1-4-9(11)10-5-2-6-13-10/h1-6,13H,7H2,(H,14,15)	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	338	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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50264548 (7-(1H-pyrrol-2-yl)isoindolin-1-one | CHEMBL491045) Show SMILES O=C1NCc2cccc(-c3ccc[nH]3)c12 Show InChI InChI=1S/C12H10N2O/c15-12-11-8(7-14-12)3-1-4-9(11)10-5-2-6-13-10/h1-6,13H,7H2,(H,14,15)	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	1.10E+3	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