BDBM50124535 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE::5-(4'-amino-5',8'-difluoro-1'H-spiro[piperidine-4,2'-quinazoline]-1-ylcarbonyl)picolinonitrile::5-(4-Amino-5,8-difluorospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile, 3::5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidine-4,2'-quinazolin]-1-yl)carbonyl]pyridine-2-carbonitrile::5-[4'-amino-5',8'-difluorospiro[hexahydropyridine-4,2'-(1',2'-dihydroquinazoline)]-1-ylcarbonyl]-2-pyridinecarbonitrile::AR-C102222::CHEMBL447183

SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(nc2)C#N)Nc2c(F)ccc(F)c12

InChI Key InChIKey=GIZYIOOBBUHOBS-UHFFFAOYSA-N

Data  17 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50124535   

TargetNitric oxide synthase, inducible(Human)
Astrazeneca Charnwood

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 41nMAssay Description:Inhibition of human recombinant iNOSMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Nycomed

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 741nMAssay Description:Inhibition of human nNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, endothelial(Human)
Nycomed

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human eNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, inducible(Human)
Astrazeneca Charnwood

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 37.1nMAssay Description:Inhibition of human iNOS assessed as inhibition of [3H]L-arginine to [3H]L-citrulline conversion by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Human)
Astrazeneca Charnwood

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 210nMAssay Description:Inhibition of cytokine-induced iNOS activity in human DLD1 cells after 24 hrsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Nycomed

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 840nMAssay Description:Inhibition of human nNOS expressed in insect SF9 cells after 1 hrMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, inducible(Human)
Astrazeneca Charnwood

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 170nMAssay Description:Inhibition of human iNOS expressed in human DLD1 cells after 1 hrMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Human)
Astrazeneca Charnwood

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 37nMAssay Description:Inhibitory activity of compound against human inducible nitric oxide synthaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Nycomed

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory activity against human neuronal nitric oxide synthaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, inducible(Human)
Astrazeneca Charnwood

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 35nMpH: 7.0 T: 2°CAssay Description:Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, inducible(Human)
Astrazeneca Charnwood

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of iNOS in intact human DLD1 cells assessed as nitric oxide productionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Astrazeneca Charnwood

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 100nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, endothelial(Human)
Nycomed

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 1.00E+5nMAssay Description:In vitro inhibition of human endothelial nitric oxide synthase.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, brain(Human)
Nycomed

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 740nMAssay Description:In vitro inhibition of human neuronal nitric oxide synthase.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, inducible(Human)
Astrazeneca Charnwood

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 37nMAssay Description:In vitro inhibition of human Inducible nitric oxide synthase.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetNitric oxide synthase, brain(Human)
Nycomed

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 790nMpH: 7.0 T: 2°CAssay Description:Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNitric oxide synthase, endothelial(Human)
Nycomed

Curated by ChEMBL
LigandPNGBDBM50124535(5-[(4'-amino-5',8'-difluoro-1H,1'H-spiro[piperidin...)
Affinity DataIC50: 1.00E+5nMpH: 7.0 T: 2°CAssay Description:Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed