BDBM50312520 6-(((3S,4S)/(3R,4R)-4-(2-(2-Fluoro-2-(3-fluorophenyl)propylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine::CHEMBL1086858
SMILES: Cc1cc(N)nc(CC2CNCC2OCCNCC(F)c2cccc(F)c2)c1
InChI Key: InChIKey=NOLWAWWUERSXHH-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Nitric-oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50312520 (6-(((3S,4S)/(3R,4R)-4-(2-(2-Fluoro-2-(3-fluorophen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 36 | 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 assessed as formation of nitric oxide by hemoglobin capture assay | Bioorg Med Chem Lett 20: 554-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.086 BindingDB Entry DOI: 10.7270/Q20G3K86 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric Oxide Synthase, inducible (Mus musculus (mouse)) | BDBM50312520 (6-(((3S,4S)/(3R,4R)-4-(2-(2-Fluoro-2-(3-fluorophen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 1.30E+4 | 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 mouse recombinant iNOS expressed in Escherichia coli assessed as formation of nitric oxide by hemoglobin capture assay | Bioorg Med Chem Lett 20: 554-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.086 BindingDB Entry DOI: 10.7270/Q20G3K86 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric Oxide Synthase, endothelial (Bos taurus (bovine)) | BDBM50312520 (6-(((3S,4S)/(3R,4R)-4-(2-(2-Fluoro-2-(3-fluorophen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 3.60E+4 | 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 bovine recombinant eNOS expressed in Escherichia coli assessed as formation of nitric oxide by hemoglobin capture assay | Bioorg Med Chem Lett 20: 554-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.086 BindingDB Entry DOI: 10.7270/Q20G3K86 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric-oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50312520 (6-(((3S,4S)/(3R,4R)-4-(2-(2-Fluoro-2-(3-fluorophen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 310 | 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 assessed as formation of nitric oxide by hemoglobin capture assay | Bioorg Med Chem Lett 20: 554-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.086 BindingDB Entry DOI: 10.7270/Q20G3K86 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM50312520 (6-(((3S,4S)/(3R,4R)-4-(2-(2-Fluoro-2-(3-fluorophen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibition of nNOS in HEK293T cells assessed as nitrite formation | Bioorg Med Chem Lett 20: 554-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.086 BindingDB Entry DOI: 10.7270/Q20G3K86 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |