BDBM50093349 CHEMBL3586664::US9951014, Name 19c
SMILES: CNCCN(C)c1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N
InChI Key: InChIKey=RYFZEWNGJTVNMY-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)) | BDBM50093349 (CHEMBL3586664 | US9951014, Name 19c) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB PubMed | 24 | 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 oxyhemoglobin NO assay | J Med Chem 58: 5548-60 (2015) BindingDB Entry DOI: 10.7270/Q2319XN0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric-oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50093349 (CHEMBL3586664 | US9951014, Name 19c) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB US Patent | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astex | Assay Description The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com... | J Med Chem 52: 379-88 (2009) BindingDB Entry DOI: 10.7270/Q21N83G1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM50093349 (CHEMBL3586664 | US9951014, Name 19c) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB US Patent | 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astex | Assay Description The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com... | J Med Chem 52: 379-88 (2009) BindingDB Entry DOI: 10.7270/Q21N83G1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM50093349 (CHEMBL3586664 | US9951014, Name 19c) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB PubMed | 55 | 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 human recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay | J Med Chem 58: 5548-60 (2015) BindingDB Entry DOI: 10.7270/Q2319XN0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, inducible (Homo sapiens (Human)) | BDBM50093349 (CHEMBL3586664 | US9951014, Name 19c) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | US Patent | 3.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astex | Assay Description The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com... | J Med Chem 52: 379-88 (2009) BindingDB Entry DOI: 10.7270/Q21N83G1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric Oxide Synthase, inducible (Mus musculus (mouse)) | BDBM50093349 (CHEMBL3586664 | US9951014, Name 19c) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PubMed | 3.67E+3 | 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 oxyhemoglobin NO assay | J Med Chem 58: 5548-60 (2015) BindingDB Entry DOI: 10.7270/Q2319XN0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric Oxide Synthase, endothelial (Bos taurus (bovine)) | BDBM50093349 (CHEMBL3586664 | US9951014, Name 19c) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB PubMed | 2.50E+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 oxyhemoglobin NO assay | J Med Chem 58: 5548-60 (2015) BindingDB Entry DOI: 10.7270/Q2319XN0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, endothelial (Homo sapiens (Human)) | BDBM50093349 (CHEMBL3586664 | US9951014, Name 19c) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem | PDB US Patent | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Astex | Assay Description The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com... | J Med Chem 52: 379-88 (2009) BindingDB Entry DOI: 10.7270/Q21N83G1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |