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BDBM318940 US10173988, Compound inventive

SMILES: Cc1ccc(cc1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1

InChI Key: InChIKey=BZFYMFCKLUAOET-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 318940   
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
NADPH oxidase 1


(Homo sapiens (Human))
BDBM318940
PNG
(US10173988, Compound inventive)
Show SMILES Cc1ccc(cc1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1
Show InChI InChI=1S/C23H29N7/c1-16-4-8-20(9-5-16)30-12-10-29(11-13-30)15-21-26-22(24)28-23(27-21)25-19-7-6-17(2)18(3)14-19/h4-9,14H,10-13,15H2,1-3H3,(H3,24,25,26,27,28)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.60E+4n/an/an/an/an/an/a



GLUCOX BIOTECH AB

US Patent


Assay Description
CHO cells modified to stably express human Nox1 were grown in DMEM/F12 gibco 31331 containing 10% FBS and 1% pen/strep at 37° C. in air with 5% CO2. ...


US Patent US10173988 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2S3G
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM318940
PNG
(US10173988, Compound inventive)
Show SMILES Cc1ccc(cc1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1
Show InChI InChI=1S/C23H29N7/c1-16-4-8-20(9-5-16)30-12-10-29(11-13-30)15-21-26-22(24)28-23(27-21)25-19-7-6-17(2)18(3)14-19/h4-9,14H,10-13,15H2,1-3H3,(H3,24,25,26,27,28)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 670n/an/an/an/an/an/a



GLUCOX BIOTECH AB

US Patent


Assay Description
Cells: HEK (CJ Nox4) stably expressing Nox4 was purchased from Redoxis AB (Lund). The adherent cells were cultivated in RPMI 1640 with L-Glutamine we...


US Patent US10173988 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2S3G
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM318940
PNG
(US10173988, Compound inventive)
Show SMILES Cc1ccc(cc1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1
Show InChI InChI=1S/C23H29N7/c1-16-4-8-20(9-5-16)30-12-10-29(11-13-30)15-21-26-22(24)28-23(27-21)25-19-7-6-17(2)18(3)14-19/h4-9,14H,10-13,15H2,1-3H3,(H3,24,25,26,27,28)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60E+4n/an/an/an/an/an/a



GLUCOX BIOTECH AB

US Patent


Assay Description
Cells: Human blood was purchased in buffy coat, prepared the same day for isolation of neutrophils, from Labjoy AB, Lund, Sweden. Blood components we...


US Patent US10173988 (2019)


BindingDB Entry DOI: 10.7270/Q2WH2S3G
More data for this
Ligand-Target Pair