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SMILES: [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1ccccc21

InChI Key: InChIKey=JRZVZOJLFGFLMZ-RJGXRXQPSA-N

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 5 hits for monomerid = 50497265   
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
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497265
PNG
(CHEMBL3347503)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1ccccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:27.22,THB:14:13:3.2:27.22|
Show InChI InChI=1S/C24H28FN/c1-16(2)12-21-23-20-11-6-5-10-19(20)22(14-24(23,3)4)26(21)15-17-8-7-9-18(25)13-17/h5-11,13,21-23H,1,12,14-15H2,2-4H3/t21-,22-,23+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50497265
PNG
(CHEMBL3347503)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1ccccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:27.22,THB:14:13:3.2:27.22|
Show InChI InChI=1S/C24H28FN/c1-16(2)12-21-23-20-11-6-5-10-19(20)22(14-24(23,3)4)26(21)15-17-8-7-9-18(25)13-17/h5-11,13,21-23H,1,12,14-15H2,2-4H3/t21-,22-,23+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX1 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))
BDBM50497265
PNG
(CHEMBL3347503)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1ccccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:27.22,THB:14:13:3.2:27.22|
Show InChI InChI=1S/C24H28FN/c1-16(2)12-21-23-20-11-6-5-10-19(20)22(14-24(23,3)4)26(21)15-17-8-7-9-18(25)13-17/h5-11,13,21-23H,1,12,14-15H2,2-4H3/t21-,22-,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX5 transfected in HEK cells assessed as inhibition of ionomycin-stimulated ROS generation by chemiluminescence assa...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50497265
PNG
(CHEMBL3347503)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1ccccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:27.22,THB:14:13:3.2:27.22|
Show InChI InChI=1S/C24H28FN/c1-16(2)12-21-23-20-11-6-5-10-19(20)22(14-24(23,3)4)26(21)15-17-8-7-9-18(25)13-17/h5-11,13,21-23H,1,12,14-15H2,2-4H3/t21-,22-,23+/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX4 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497265
PNG
(CHEMBL3347503)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1ccccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:27.22,THB:14:13:3.2:27.22|
Show InChI InChI=1S/C24H28FN/c1-16(2)12-21-23-20-11-6-5-10-19(20)22(14-24(23,3)4)26(21)15-17-8-7-9-18(25)13-17/h5-11,13,21-23H,1,12,14-15H2,2-4H3/t21-,22-,23+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.80E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair