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| 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 (Rattus norvegicus (rat)) | BDBM29234 (CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet  | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 85 | -41.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair |  3D Structure (crystal) | ||||||||||||
| Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 100 | -40.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM21960 (3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 150 | -39.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM29235 (aminopyridine-pyrrolidine, 7) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 250 | -38.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM22030 ((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 300 | -37.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM29233 (CHEMBL508014 | aminopyridine-pyrrolidine, 5) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 388 | -37.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Nitric oxide synthase, brain [D597N,M336V] (Rattus norvegicus (rat)) | BDBM29234 (CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 1.20E+3 | -34.4 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Nitric oxide synthase, brain [D597N,M336V] (Rattus norvegicus (rat)) | BDBM29235 (aminopyridine-pyrrolidine, 7) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 6.10E+3 | -30.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM29232 (3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrroli...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 9.40E+3 | -29.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Nitric oxide synthase, brain [D597N,M336V] (Rattus norvegicus (rat)) | BDBM29233 (CHEMBL508014 | aminopyridine-pyrrolidine, 5) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 3.67E+4 | -25.7 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Nitric oxide synthase, brain [D597N,M336V] (Rattus norvegicus (rat)) | BDBM29232 (3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrroli...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 4.92E+4 | -25.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Nitric oxide synthase, endothelial (Bos taurus (bovine)) | BDBM21960 (3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-n...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 8.00E+4 | -23.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Nitric oxide synthase, endothelial (Bos taurus (bovine)) | BDBM29234 (CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 8.52E+4 | -23.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Nitric oxide synthase, endothelial (Bos taurus (bovine)) | BDBM29235 (aminopyridine-pyrrolidine, 7) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 9.52E+4 | -23.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Nitric oxide synthase, endothelial (Bos taurus (bovine)) | BDBM22030 ((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1.07E+5 | -23.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Nitric oxide synthase, endothelial (Bos taurus (bovine)) | BDBM21961 ((2S,4R)-4-[(2S)-2-amino-5-(1-nitrocarbamimidamido)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 1.10E+5 | -23.0 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Nitric oxide synthase, endothelial (Bos taurus (bovine)) | BDBM29232 (3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrroli...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 3.67E+5 | -19.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Nitric oxide synthase, endothelial (Bos taurus (bovine)) | BDBM29233 (CHEMBL508014 | aminopyridine-pyrrolidine, 5) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 4.17E+5 | -19.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of California at Irvine | 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 52: 2060-6 (2009) Article DOI: 10.1021/jm900007a BindingDB Entry DOI: 10.7270/Q2HX1B1J | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
