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SMILES: Cc1cc(CCc2cc(O)c(=O)[nH]n2)ccc1C(F)(F)F

InChI Key: InChIKey=YGZOVSTVOIYPPU-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 210824   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210824
PNG
(US10463663, Example 64 | US11129828, Example 64 | ...)
Show SMILES Cc1cc(CCc2cc(O)c(=O)[nH]n2)ccc1C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2/c1-8-6-9(3-5-11(8)14(15,16)17)2-4-10-7-12(20)13(21)19-18-10/h3,5-7H,2,4H2,1H3,(H,18,20)(H,19,21)
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PC cid
PC sid
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US Patent
n/an/a 13n/an/an/an/a7.425



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))
BDBM210824
PNG
(US10463663, Example 64 | US11129828, Example 64 | ...)
Show SMILES Cc1cc(CCc2cc(O)c(=O)[nH]n2)ccc1C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2/c1-8-6-9(3-5-11(8)14(15,16)17)2-4-10-7-12(20)13(21)19-18-10/h3,5-7H,2,4H2,1H3,(H,18,20)(H,19,21)
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n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM210824
PNG
(US10463663, Example 64 | US11129828, Example 64 | ...)
Show SMILES Cc1cc(CCc2cc(O)c(=O)[nH]n2)ccc1C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2/c1-8-6-9(3-5-11(8)14(15,16)17)2-4-10-7-12(20)13(21)19-18-10/h3,5-7H,2,4H2,1H3,(H,18,20)(H,19,21)
PDB
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/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))
BDBM210824
PNG
(US10463663, Example 64 | US11129828, Example 64 | ...)
Show SMILES Cc1cc(CCc2cc(O)c(=O)[nH]n2)ccc1C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2/c1-8-6-9(3-5-11(8)14(15,16)17)2-4-10-7-12(20)13(21)19-18-10/h3,5-7H,2,4H2,1H3,(H,18,20)(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/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