Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 294.3 BDBM40969

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM40969 ((3Z)-3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)met...) Show SMILES O=C1Nc2ccccc2C1C=Nc1ccc2OCCOc2c1 |w:11.13| Show InChI InChI=1S/C17H14N2O3/c20-17-13(12-3-1-2-4-14(12)19-17)10-18-11-5-6-15-16(9-11)22-8-7-21-15/h1-6,9-10,13H,7-8H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2GX48ZN
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 2-beta (Homo sapiens (Human))	BDBM40969 ((3Z)-3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)met...) Show SMILES O=C1Nc2ccccc2C1C=Nc1ccc2OCCOc2c1 |w:11.13| Show InChI InChI=1S/C17H14N2O3/c20-17-13(12-3-1-2-4-14(12)19-17)10-18-11-5-6-15-16(9-11)22-8-7-21-15/h1-6,9-10,13H,7-8H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2H993M3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM40969 ((3Z)-3-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)met...) Show SMILES O=C1Nc2ccccc2C1C=Nc1ccc2OCCOc2c1 |w:11.13| Show InChI InChI=1S/C17H14N2O3/c20-17-13(12-3-1-2-4-14(12)19-17)10-18-11-5-6-15-16(9-11)22-8-7-21-15/h1-6,9-10,13H,7-8H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2KK996K
					More data for this Ligand-Target Pair