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 (408/421 = 97%)† (Rattus norvegicus (rat)) | BDBM190666![]() (US10759791, Compound 14h | nNOS inhibitor, 4) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 72 | 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 expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production measured for 6 ... | J Med Chem 59: 4913-25 (2016) Article DOI: 10.1021/acs.jmedchem.6b00273 BindingDB Entry DOI: 10.7270/Q2J38VHQ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (408/421 = 97%)† (Rattus norvegicus (rat)) | BDBM190666![]() (US10759791, Compound 14h | nNOS inhibitor, 4) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 72.3 | -42.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 37 |
University of California , Irvine | Assay Description The assay was performed at 37 °C in HEPES buffer (100 mM, with 10% glycerol, pH 7.4) in the presence of 10 uM L-arginine. Also included were 100 ... | Biochemistry 55: 3702-7 (2016) Article DOI: 10.1021/acs.biochem.6b00261 BindingDB Entry DOI: 10.7270/Q2WW7GFX | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (419/421 > 99%)† (Homo sapiens (Human)) | BDBM190666![]() (US10759791, Compound 14h | nNOS inhibitor, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 89 | 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 human recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production measured for ... | J Med Chem 59: 4913-25 (2016) Article DOI: 10.1021/acs.jmedchem.6b00273 BindingDB Entry DOI: 10.7270/Q2J38VHQ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Isoform PNNOS of Nitric oxide synthase, brain (PNNOS) -973,I269V,M336V,D597N] (406/421 = 96%)† (Rattus norvegicus (rats)) | BDBM190666![]() (US10759791, Compound 14h | nNOS inhibitor, 4) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 458 | -37.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 37 |
University of California , Irvine | Assay Description The assay was performed at 37 °C in HEPES buffer (100 mM, with 10% glycerol, pH 7.4) in the presence of 10 uM L-arginine. Also included were 100 ... | Biochemistry 55: 3702-7 (2016) Article DOI: 10.1021/acs.biochem.6b00261 BindingDB Entry DOI: 10.7270/Q2WW7GFX | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain [D597N] (407/421 = 97%)† (Rattus norvegicus (rat)) | BDBM190666![]() (US10759791, Compound 14h | nNOS inhibitor, 4) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 641 | -36.8 | n/a | n/a | n/a | n/a | n/a | 7.4 | 37 |
University of California , Irvine | Assay Description The assay was performed at 37 °C in HEPES buffer (100 mM, with 10% glycerol, pH 7.4) in the presence of 10 uM L-arginine. Also included were 100 ... | Biochemistry 55: 3702-7 (2016) Article DOI: 10.1021/acs.biochem.6b00261 BindingDB Entry DOI: 10.7270/Q2WW7GFX | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |