BDBM50330873 CHEMBL1277786::US9090589, 4::trans rac-N1-(4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)-N2-phenethylethane-1,2-diamine
SMILES: Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NCCNCCc2ccccc2)c1
InChI Key: InChIKey=OOOHDCHGOXCPHM-ICSRJNTNSA-N
Data: 6 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)) | BDBM50330873 (CHEMBL1277786 | US9090589, 4 | trans rac-N1-(4-((6...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 88 | 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 (Homo sapiens (Human)) | BDBM50330873 (CHEMBL1277786 | US9090589, 4 | trans rac-N1-(4-((6...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University; The Regents of the University of California US Patent | Assay Description Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal ni... | US Patent US9090589 (2015) BindingDB Entry DOI: 10.7270/Q2QR4VW7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric-oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50330873 (CHEMBL1277786 | US9090589, 4 | trans rac-N1-(4-((6...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.82E+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, inducible (Homo sapiens (Human)) | BDBM50330873 (CHEMBL1277786 | US9090589, 4 | trans rac-N1-(4-((6...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 1.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University; The Regents of the University of California US Patent | Assay Description Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal ni... | US Patent US9090589 (2015) BindingDB Entry DOI: 10.7270/Q2QR4VW7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric Oxide Synthase, endothelial (Bos taurus (bovine)) | BDBM50330873 (CHEMBL1277786 | US9090589, 4 | trans rac-N1-(4-((6...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.24E+5 | 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 | |||||||||||||
Nitric oxide synthase, endothelial (Homo sapiens (Human)) | BDBM50330873 (CHEMBL1277786 | US9090589, 4 | trans rac-N1-(4-((6...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 1.24E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University; The Regents of the University of California US Patent | Assay Description Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal ni... | US Patent US9090589 (2015) BindingDB Entry DOI: 10.7270/Q2QR4VW7 | |||||||||||
More data for this Ligand-Target Pair |