Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 191.2 BDBM46040Purchase

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
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM46040 (5-spiro[1,3-benzodioxole-2,1'-cyclopentane]amine;h...) Show SMILES Nc1ccc2OC3(CCCC3)Oc2c1 Show InChI InChI=1S/C11H13NO2/c12-8-3-4-9-10(7-8)14-11(13-9)5-1-2-6-11/h3-4,7H,1-2,5-6,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CR5RRG
					More data for this Ligand-Target Pair
Alkaline phosphatase, germ cell type (Homo sapiens (Human))	BDBM46040 (5-spiro[1,3-benzodioxole-2,1'-cyclopentane]amine;h...) Show SMILES Nc1ccc2OC3(CCCC3)Oc2c1 Show InChI InChI=1S/C11H13NO2/c12-8-3-4-9-10(7-8)14-11(13-9)5-1-2-6-11/h3-4,7H,1-2,5-6,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29S1PG8
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Mus musculus)	BDBM46040 (5-spiro[1,3-benzodioxole-2,1'-cyclopentane]amine;h...) Show SMILES Nc1ccc2OC3(CCCC3)Oc2c1 Show InChI InChI=1S/C11H13NO2/c12-8-3-4-9-10(7-8)14-11(13-9)5-1-2-6-11/h3-4,7H,1-2,5-6,12H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.26E+3	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX
					More data for this Ligand-Target Pair