BDBM50449046 CHEMBL3126215::US9212144, 7 (Ex. 13)

SMILES c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N

InChI Key InChIKey=UAVGQDSBRIPETE-UHFFFAOYSA-N

Data  20 KI

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50449046   

TargetNitric oxide synthase, brain(Rat)
Northwestern University

US Patent
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  49nMpH: 7.4Assay Description:To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37° C. in HEPES b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2016
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

US Patent
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  49nMAssay Description:Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

US Patent
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  49nMAssay Description:Inhibition of wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

US Patent
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  49nMAssay Description:Inhibition of recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Rat)
Northwestern University

US Patent
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  49nMAssay Description:Inhibition of recombinant rat nNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  318nMAssay Description:Inhibition of recombinant human nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  318nMpH: 7.4Assay Description:To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37° C. in HEPES b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2016
Entry Details
Go to US Patent

TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  318nMAssay Description:Inhibition of recombinant human nNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details Article
PubMed
TargetNitric oxide synthase, brain(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  318nMAssay Description:Inhibition of recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2020
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  9.49E+3nMAssay Description:Inhibition of recombinant human full-length eNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  9.49E+3nMAssay Description:Inhibition of recombinant human eNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  1.12E+4nMAssay Description:Inhibition of recombinant bovine eNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  1.12E+4nMAssay Description:Inhibition of bovine recombinant eNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  1.12E+4nMpH: 7.4Assay Description:To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37° C. in HEPES b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2016
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNitric oxide synthase, endothelial(Bovine)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  1.12E+4nMAssay Description:Inhibition of recombinant bovine eNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  4.40E+4nMAssay Description:Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/17/2020
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  4.40E+4nMAssay Description:Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2019
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  4.40E+4nMAssay Description:Inhibition of mouse recombinant iNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  4.40E+4nMAssay Description:Inhibition of recombinant murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Mouse)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50449046(CHEMBL3126215 | US9212144, 7 (Ex. 13))
Affinity DataKi:  4.40E+4nMpH: 7.4Assay Description:To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37° C. in HEPES b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2016
Entry Details
Go to US Patent