BDBM50255153 (S)-N1-{(+/-)-4'-[(6''-amino-4''-methylpyridin-2''-yl)methyl]pyrrolidin-3'-yl}-N2-(4'-chlorobenzyl)propane-1,2-diamine tetrahydrochloride::CHEMBL480247
SMILES: C[C@@H](CN[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1)NCc1ccc(Cl)cc1
InChI Key: InChIKey=MCSLKWRASMXFKG-RIFZZMRRSA-N
Data: 3 KI
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)) | BDBM50255153 ((S)-N1-{(+/-)-4'-[(6''-amino-4''-methylpyridin-2''...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 136 | 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 by hemoglobin capture assay | J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric Oxide Synthase, inducible (Mus musculus (mouse)) | BDBM50255153 ((S)-N1-{(+/-)-4'-[(6''-amino-4''-methylpyridin-2''...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.22E+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 by hemoglobin capture assay | J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric Oxide Synthase, endothelial (Bos taurus (bovine)) | BDBM50255153 ((S)-N1-{(+/-)-4'-[(6''-amino-4''-methylpyridin-2''...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.00E+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 by hemoglobin capture assay | J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01 | |||||||||||
More data for this Ligand-Target Pair |