BDBM29234 CHEMBL481815::US9090589, 6::aminopyridine-pyrrolidine, 6

SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)c1

InChI Key InChIKey=JDRSQGJWTVRNGM-QFBILLFUSA-N

Data  12 KI  2 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 29234   

TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
University of California Irvine

LigandPNGBDBM29234(CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...)
Affinity DataKi:  85nM ΔG°:  -9.80kcal/molepH: 7.5 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
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM29234(CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...)
Affinity DataKi:  85nMAssay Description:Inhibition of mouse recombinant iNOSMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, brain(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM29234(CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...)
Affinity DataKi:  85nMAssay Description:Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal ni...More data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
University of California Irvine

LigandPNGBDBM29234(CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...)
Affinity DataKi:  85nMAssay Description:Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
TargetNitric oxide synthase, brain [D597N,M336V](Rattus norvegicus (rat))
University of California Irvine

LigandPNGBDBM29234(CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...)
Affinity DataKi:  1.20E+3nM ΔG°:  -8.21kcal/molepH: 7.5 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
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM29234(CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...)
Affinity DataKi:  8.95E+3nMAssay Description:Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal ni...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
University of California Irvine

LigandPNGBDBM29234(CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...)
Affinity DataKi:  8.95E+3nMAssay Description:Inhibition of rat recombinant nNOSMore data for this Ligand-Target Pair
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM29234(CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...)
Affinity DataKi:  8.95E+3nMAssay Description:Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM29234(CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...)
Affinity DataKi:  8.50E+4nMAssay Description:Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM29234(CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...)
Affinity DataKi:  8.50E+4nMAssay Description:Inhibition of bovine recombinant eNOSMore data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Northwestern University

US Patent
LigandPNGBDBM29234(CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...)
Affinity DataKi:  8.52E+4nMAssay Description:Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal ni...More data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM29234(CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...)
Affinity DataKi:  8.52E+4nM ΔG°:  -5.64kcal/molepH: 7.5 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
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
University of California Irvine

LigandPNGBDBM29234(CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...)
Affinity DataIC50:  740nMAssay Description:Inhibition of recombinant rat nNOS expressed in Escherichia coli by hemoglobin capture assayMore data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
University of California Irvine

LigandPNGBDBM29234(CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...)
Affinity DataIC50:  4.20E+4nMAssay Description:Inhibition of rat nNOS expressed in HEK293T cells preincubated for 30 mins prior A23187-induced activation measured after 6 hrs by Griess assayMore data for this Ligand-Target Pair