BDBM21960 3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-nitroguanidine::CHEMBL227937::JMC522060 Compound 2::N omega-Nitro-L-Arginine-Containing Dipeptide, 1

SMILES NCCNC[C@@H](N)CCCN=C(N)N[N+]([O-])=O

InChI Key InChIKey=RMSWBHUVFNFNIZ-ZETCQYMHSA-N

Data  18 KI

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 18 hits for monomerid = 21960   

TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  120nMAssay Description:Inhibitory activity against recombinant rat nNOS.More data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  120nMAssay Description:Inhibitory activity against Neuronal Nitric Oxide Synthase (nNOS)More data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Rattus norvegicus (rat))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  150nM ΔG°:  -9.46kcal/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))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  150nM ΔG°:  -9.46kcal/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))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  170nM ΔG°:  -9.38kcal/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(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  290nMAssay Description:Inhibitory activity against neuronal nitric oxide synthaseChecked by AuthorMore data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial [N368D](Bos taurus (bovine))
University Of California Irvine

LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  4.60E+3nM ΔG°:  -7.40kcal/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

LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  1.80E+4nM ΔG°:  -6.58kcal/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
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, brain [D597N](Rattus norvegicus (rat))
University Of California Irvine

LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  3.40E+4nM ΔG°:  -6.19kcal/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

LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  3.90E+4nMAssay Description:Inhibitory activity against recombinant murine iNOS.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  3.90E+4nMAssay Description:Inhibitory activity against Inducible nitric oxide synthase (iNOS)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, inducible(Mus musculus (mouse))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  7.30E+4nMAssay Description:Inhibitory activity against Inducible nitric oxide synthaseChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
University Of California Irvine

LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  8.00E+4nM ΔG°:  -5.68kcal/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, endothelial(Bos taurus (bovine))
University Of California Irvine

LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  8.00E+4nM ΔG°:  -5.68kcal/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, endothelial(Bos taurus (bovine))
University Of California Irvine

LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  1.91E+5nM ΔG°:  -5.15kcal/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, endothelial(Bos taurus (bovine))
University Of California Irvine

LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  3.14E+5nMAssay Description:Inhibitory activity against recombinant bovine eNOS.More data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Bos taurus (bovine))
University Of California Irvine

LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  3.14E+5nMAssay Description:Inhibitory activity against endothelial nitric oxide synthase (eNOS)More data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM21960(3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...)
Affinity DataKi:  5.24E+5nMAssay Description:Inhibitory activity against endothelial nitric oxide synthase (eNOS)Checked by AuthorMore data for this Ligand-Target Pair