BDBM152721 N-(3-{2-[3-(thiophene-2-imidamido)phenoxy]ethoxy}phenyl)thiophene-2-carboximidamide (26)::US9242957, 5
SMILES: N=C(Nc1cccc(OCCOc2cccc(NC(=N)c3cccs3)c2)c1)c1cccs1
InChI Key: InChIKey=FJVFGYSUSVNZDG-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM152721 (N-(3-{2-[3-(thiophene-2-imidamido)phenoxy]ethoxy}p...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB US Patent | 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods... | US Patent US9242957 (2016) BindingDB Entry DOI: 10.7270/Q24B3047 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, endothelial (Bos taurus (bovine)) | BDBM152721 (N-(3-{2-[3-(thiophene-2-imidamido)phenoxy]ethoxy}p...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | US Patent | 1.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods... | US Patent US9242957 (2016) BindingDB Entry DOI: 10.7270/Q24B3047 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, inducible (Mus musculus (mouse)) | BDBM152721 (N-(3-{2-[3-(thiophene-2-imidamido)phenoxy]ethoxy}p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | US Patent | 6.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description The compounds were evaluated for in vitro inhibition against three NOS isozymes: rat nNOS, bovine eNOS and marine iNOS using known literature methods... | US Patent US9242957 (2016) BindingDB Entry DOI: 10.7270/Q24B3047 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase oxygenase (Bacillus subtilis (Firmicutes)) | BDBM152721 (N-(3-{2-[3-(thiophene-2-imidamido)phenoxy]ethoxy}p...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 1.27E+5 | n/a | n/a | n/a | n/a | n/a |
University of California, Irvine | Assay Description In short, the difference between the imidazole-bound low-spin peak at 430 nm and the inhibitorbound high-spin peak at 395 nm was measured as a functi... | Biochemistry 54: 4075-82 (2015) Article DOI: 10.1021/acs.biochem.5b00431 BindingDB Entry DOI: 10.7270/Q2Q23Z0J | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |