Found 14 hits Enz. Inhib. hit(s) with Target = 'Nitric oxide synthase, brain' and Ligand = 'BDBM50225106' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50225106
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against human neuronal nitric oxide synthase (nNOS) isoenzyme. |
J Med Chem 41: 2858-71 (1998)
Article DOI: 10.1021/jm980072p BindingDB Entry DOI: 10.7270/Q2862H4X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50225106
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Química Médica
Curated by ChEMBL
| Assay Description Inhibition of nNOS (unknown origin) assessed as conversion of L-[3H]arginine to L-[3H]citrulline |
Bioorg Med Chem 16: 6193-206 (2008)
Article DOI: 10.1016/j.bmc.2008.04.036 BindingDB Entry DOI: 10.7270/Q2611040 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50225106
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 610 | -36.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
Northwestern University
| Assay 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... |
J Med Chem 50: 2089-99 (2007)
Article DOI: 10.1021/jm061305c BindingDB Entry DOI: 10.7270/Q2W0947W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50225106
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 4.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of rat recombinant nNOS |
J Med Chem 53: 7804-24 (2010)
Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50225106
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering AG
Curated by ChEMBL
| Assay Description Inhibitory concentration against recombinant human (neuronal nitric oxide synthase) n-NOS |
Bioorg Med Chem Lett 13: 1981-4 (2003)
BindingDB Entry DOI: 10.7270/Q2FN16QG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50225106
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering AG
Curated by ChEMBL
| Assay Description Concentration required to inhibit neuronal nitric oxide synthase |
Bioorg Med Chem Lett 12: 2561-4 (2002)
BindingDB Entry DOI: 10.7270/Q2VD6XS8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Mus musculus) | BDBM50225106
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of neuronal nitric oxide synthase (nNOS) in mice |
Bioorg Med Chem Lett 14: 313-6 (2003)
BindingDB Entry DOI: 10.7270/Q2XP74C4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50225106
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of cloned (from RNA) human Neuronal nitric oxide synthase |
J Med Chem 41: 3675-83 (1998)
Article DOI: 10.1021/jm970840x BindingDB Entry DOI: 10.7270/Q2XP75MP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50225106
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested in vitro for inhibitory activity against nNOS(constitutive isoform found in neurons) |
Bioorg Med Chem Lett 6: 999-1002 (1996)
Article DOI: 10.1016/0960-894X(96)00144-8 BindingDB Entry DOI: 10.7270/Q2TT4QZ3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50225106
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against isomeric form of Neuronal nitric oxide synthase measured by citrulline assay |
J Med Chem 41: 2636-42 (1998)
Article DOI: 10.1021/jm980073h BindingDB Entry DOI: 10.7270/Q26Q1WD7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50225106
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of human nNOS by hemoglobin capture assay |
J Med Chem 52: 4533-7 (2009)
Article DOI: 10.1021/jm900380j BindingDB Entry DOI: 10.7270/Q2TQ61G8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50225106
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of recombinant rat nNOS expressed in Escherichia coli by hemoglobin capture assay |
Bioorg Med Chem 20: 2435-43 (2012)
Article DOI: 10.1016/j.bmc.2012.01.037 BindingDB Entry DOI: 10.7270/Q26110TZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50225106
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of rat nNOS expressed in HEK293T cells preincubated for 30 mins prior A23187-induced activation measured after 6 hrs by Griess assay |
Bioorg Med Chem 20: 2435-43 (2012)
Article DOI: 10.1016/j.bmc.2012.01.037 BindingDB Entry DOI: 10.7270/Q26110TZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50225106
((2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino...)Show SMILES N[C@@H](CCCNC(N)=N[N+]([O-])=O)C(O)=O |r,w:8.8| Show InChI InChI=1S/C6H13N5O4/c7-4(5(12)13)2-1-3-9-6(8)10-11(14)15/h4H,1-3,7H2,(H,12,13)(H3,8,9,10)/t4-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University
Curated by ChEMBL
| Assay Description Inhibition of wild type rat nNOS by hemoglobin capture assay |
J Med Chem 52: 4533-7 (2009)
Article DOI: 10.1021/jm900380j BindingDB Entry DOI: 10.7270/Q2TQ61G8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |