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BDBM244086 US9428478, TG6-236

SMILES: COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(O)=O

InChI Key: InChIKey=CKKZNPZWHVNQKG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 244086   
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
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM244086
PNG
(US9428478, TG6-236)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C21H21N3O4/c1-28-17-5-3-16(4-6-17)23-8-10-24(11-9-23)20(25)19-13-15-12-14(21(26)27)2-7-18(15)22-19/h2-7,12-13,22H,8-11H2,1H3,(H,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>2.00E+10n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Assay controls. To rule out interference with either Nox2 or Nox4 luminescence assays, two approaches are used. In one, xanthine oxidase replaces the...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244086
PNG
(US9428478, TG6-236)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C21H21N3O4/c1-28-17-5-3-16(4-6-17)23-8-10-24(11-9-23)20(25)19-13-15-12-14(21(26)27)2-7-18(15)22-19/h2-7,12-13,22H,8-11H2,1H3,(H,26,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair