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BDBM50117808 CHEMBL3613937::US9505753, 5k

SMILES: Oc1nn(CCc2ccc(cc2)C(F)(F)F)c(=O)[nH]c1=O

InChI Key: InChIKey=LYQFMMLJFDMKCI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50117808   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50117808
PNG
(CHEMBL3613937 | US9505753, 5k)
Show SMILES Oc1nn(CCc2ccc(cc2)C(F)(F)F)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H10F3N3O3/c13-12(14,15)8-3-1-7(2-4-8)5-6-18-11(21)16-9(19)10(20)17-18/h1-4H,5-6H2,(H,17,20)(H,16,19,21)
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DAAO expressed in HEK cells using D-serine as substrate assessed as formation of alpha-keto acid, ammonia, hydrogen p...


J Med Chem 58: 7258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00482
BindingDB Entry DOI: 10.7270/Q2SF2XZQ
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50117808
PNG
(CHEMBL3613937 | US9505753, 5k)
Show SMILES Oc1nn(CCc2ccc(cc2)C(F)(F)F)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H10F3N3O3/c13-12(14,15)8-3-1-7(2-4-8)5-6-18-11(21)16-9(19)10(20)17-18/h1-4H,5-6H2,(H,17,20)(H,16,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 80n/an/an/an/a8.525



The Johns Hopkins University

US Patent


Assay Description
A reliable 96-well plate D-amino acid oxidase (DAAO) assay was developed based on previously published reports (J. Biol. Chem. 277: 27782 (2002)). Br...


US Patent US9505753 (2016)


BindingDB Entry DOI: 10.7270/Q21J98QK
More data for this
Ligand-Target Pair