BDBM50431086 CHEMBL2338800::US10202399, Example 212::US10463663, Example 2::US9212147, 212::US9290456, 2::US9931340, Example 2

SMILES: Oc1cc(CCc2ccc(F)cc2)n[nH]c1=O

InChI Key: InChIKey=VXMITFXRZIEUCJ-UHFFFAOYSA-N

Data: 10 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 11 hits for monomerid = 50431086   

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
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50431086 (CHEMBL2338800 | US10202399, Example 212 | US104636...) Show SMILES Oc1cc(CCc2ccc(F)cc2)n[nH]c1=O Show InChI InChI=1S/C12H11FN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	7.5	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...				US Patent US9212147 (2015) BindingDB Entry DOI: 10.7270/Q29G5KKS
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50431086 (CHEMBL2338800 | US10202399, Example 212 | US104636...) Show SMILES Oc1cc(CCc2ccc(F)cc2)n[nH]c1=O Show InChI InChI=1S/C12H11FN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.20	n/a	n/a	n/a	n/a	7.5	25
Takeda Pharmaceutical Company Limited US Patent					Assay Description This test was performed by partially modifying the method of Philip et. al. (J. Biomol. Screen. Vol. 11, pp 481-487, 2006). HEK293 cells that stably ...				US Patent US9212147 (2015) BindingDB Entry DOI: 10.7270/Q29G5KKS
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50431086 (CHEMBL2338800 | US10202399, Example 212 | US104636...) Show SMILES Oc1cc(CCc2ccc(F)cc2)n[nH]c1=O Show InChI InChI=1S/C12H11FN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	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))	BDBM50431086 (CHEMBL2338800 | US10202399, Example 212 | US104636...) Show SMILES Oc1cc(CCc2ccc(F)cc2)n[nH]c1=O Show InChI InChI=1S/C12H11FN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DAAO after 30 mins by plate reader analysis				J Med Chem 56: 3582-92 (2013) Article DOI: 10.1021/jm400095b BindingDB Entry DOI: 10.7270/Q2HT2QPZ
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Rattus norvegicus (rat))	BDBM50431086 (CHEMBL2338800 | US10202399, Example 212 | US104636...) Show SMILES Oc1cc(CCc2ccc(F)cc2)n[nH]c1=O Show InChI InChI=1S/C12H11FN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of rat full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis				J Med Chem 56: 3582-92 (2013) Article DOI: 10.1021/jm400095b BindingDB Entry DOI: 10.7270/Q2HT2QPZ
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50431086 (CHEMBL2338800 | US10202399, Example 212 | US104636...) Show SMILES Oc1cc(CCc2ccc(F)cc2)n[nH]c1=O Show InChI InChI=1S/C12H11FN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50431086 (CHEMBL2338800 | US10202399, Example 212 | US104636...) Show SMILES Oc1cc(CCc2ccc(F)cc2)n[nH]c1=O Show InChI InChI=1S/C12H11FN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis				J Med Chem 56: 3582-92 (2013) Article DOI: 10.1021/jm400095b BindingDB Entry DOI: 10.7270/Q2HT2QPZ
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50431086 (CHEMBL2338800 | US10202399, Example 212 | US104636...) Show SMILES Oc1cc(CCc2ccc(F)cc2)n[nH]c1=O Show InChI InChI=1S/C12H11FN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The DAAO inhibitory activity was measured by assaying the amount of hydrogen peroxide (H2O2) produced by reacting DAAO protein with flavin adenine di...				US Patent US10202399 (2019) BindingDB Entry DOI: 10.7270/Q2542QQD
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50431086 (CHEMBL2338800 | US10202399, Example 212 | US104636...) Show SMILES Oc1cc(CCc2ccc(F)cc2)n[nH]c1=O Show InChI InChI=1S/C12H11FN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	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
D-amino-acid oxidase (Homo sapiens (Human))	BDBM50431086 (CHEMBL2338800 | US10202399, Example 212 | US104636...) Show SMILES Oc1cc(CCc2ccc(F)cc2)n[nH]c1=O Show InChI InChI=1S/C12H11FN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	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 (Mus musculus)	BDBM50431086 (CHEMBL2338800 | US10202399, Example 212 | US104636...) Show SMILES Oc1cc(CCc2ccc(F)cc2)n[nH]c1=O Show InChI InChI=1S/C12H11FN2O2/c13-9-4-1-8(2-5-9)3-6-10-7-11(16)12(17)15-14-10/h1-2,4-5,7H,3,6H2,(H,14,16)(H,15,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of mouse full length DAAO overexpressed in HEK293 cells after 30 mins by plate reader analysis				J Med Chem 56: 3582-92 (2013) Article DOI: 10.1021/jm400095b BindingDB Entry DOI: 10.7270/Q2HT2QPZ
					More data for this Ligand-Target Pair