Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 282.2 BDBM210795

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

Found 4 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
D-amino-acid oxidase (Homo sapiens (Human))	BDBM210795 (US10463663, Example 32 | US11129828, Example 32 | ...) Show SMILES Oc1cc(CCc2cccc(OC(F)F)c2)n[nH]c1=O Show InChI InChI=1S/C13H12F2N2O3/c14-13(15)20-10-3-1-2-8(6-10)4-5-9-7-11(18)12(19)17-16-9/h1-3,6-7,13H,4-5H2,(H,16,18)(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	7.4	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...				US Patent US9290456 (2016) BindingDB Entry DOI: 10.7270/Q2RF5SW0
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM210795 (US10463663, Example 32 | US11129828, Example 32 | ...) Show SMILES Oc1cc(CCc2cccc(OC(F)F)c2)n[nH]c1=O Show InChI InChI=1S/C13H12F2N2O3/c14-13(15)20-10-3-1-2-8(6-10)4-5-9-7-11(18)12(19)17-16-9/h1-3,6-7,13H,4-5H2,(H,16,18)(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...				Citation and Details BindingDB Entry DOI: 10.7270/Q27W6GCR
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM210795 (US10463663, Example 32 | US11129828, Example 32 | ...) Show SMILES Oc1cc(CCc2cccc(OC(F)F)c2)n[nH]c1=O Show InChI InChI=1S/C13H12F2N2O3/c14-13(15)20-10-3-1-2-8(6-10)4-5-9-7-11(18)12(19)17-16-9/h1-3,6-7,13H,4-5H2,(H,16,18)(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The functional activity of compounds inhibiting the DAAO enzyme was determined by utilizing the co-product of the catalysis of D-Serine, H2O2 which c...				US Patent US10463663 (2019) BindingDB Entry DOI: 10.7270/Q20K2BXG
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM210795 (US10463663, Example 32 | US11129828, Example 32 | ...) Show SMILES Oc1cc(CCc2cccc(OC(F)F)c2)n[nH]c1=O Show InChI InChI=1S/C13H12F2N2O3/c14-13(15)20-10-3-1-2-8(6-10)4-5-9-7-11(18)12(19)17-16-9/h1-3,6-7,13H,4-5H2,(H,16,18)(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description Human DAAO enzyme was supplied by the Takeda Pharmaceutical Company (Osaka) and each batch was tested and used at concentrations giving comparable le...				Bioorg Med Chem Lett 18: 4282-6 (2008) BindingDB Entry DOI: 10.7270/Q2F76FWC
					More data for this Ligand-Target Pair