BDBM50330870 CHEMBL1277602::trans rac-N1-(4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)-N2-(2,4-dichlorobenzyl)ethane-1,2-diamine
SMILES: Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCc2ccc(Cl)cc2Cl)c1
InChI Key: InChIKey=JOYQAGLZWMOZGT-KXBFYZLASA-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, inducible (Mus musculus (mouse)) | BDBM50330870 (CHEMBL1277602 | trans rac-N1-(4-((6-amino-4-methyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 483 | 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 | J Med Chem 53: 7804-24 (2010) Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric-oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50330870 (CHEMBL1277602 | trans rac-N1-(4-((6-amino-4-methyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.42E+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 rat recombinant nNOS | J Med Chem 53: 7804-24 (2010) Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric Oxide Synthase, endothelial (Bos taurus (bovine)) | BDBM50330870 (CHEMBL1277602 | trans rac-N1-(4-((6-amino-4-methyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.61E+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 | J Med Chem 53: 7804-24 (2010) Article DOI: 10.1021/jm100947x BindingDB Entry DOI: 10.7270/Q2NC61FT | |||||||||||
More data for this Ligand-Target Pair |