BDBM50258688 CHEMBL4062164
SMILES: Nc1ccc2ccc(CNCCc3ccc(cc3)C#N)cc2n1
InChI Key: InChIKey=CDHZAJGZCBJOTB-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 (Homo sapiens (Human)) | BDBM50258688 (CHEMBL4062164) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry, Department of Molecular Biosciences, Chemistry of Life Processes Institute, Center for Molecular Innovation and Drug Discovery, Northwestern University , Evanston, Illinois 6 Curated by ChEMBL | Assay Description Inhibition of recombinant human nNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assay | J Med Chem 60: 7146-7165 (2017) Article DOI: 10.1021/acs.jmedchem.7b00835 BindingDB Entry DOI: 10.7270/Q2639S64 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric-oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50258688 (CHEMBL4062164) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry, Department of Molecular Biosciences, Chemistry of Life Processes Institute, Center for Molecular Innovation and Drug Discovery, Northwestern University , Evanston, Illinois 6 Curated by ChEMBL | Assay Description Inhibition of recombinant rat nNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assay | J Med Chem 60: 7146-7165 (2017) Article DOI: 10.1021/acs.jmedchem.7b00835 BindingDB Entry DOI: 10.7270/Q2639S64 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric-oxide synthase, endothelial (Bos taurus (bovine)) | BDBM50258688 (CHEMBL4062164) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 581 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry, Department of Molecular Biosciences, Chemistry of Life Processes Institute, Center for Molecular Innovation and Drug Discovery, Northwestern University , Evanston, Illinois 6 Curated by ChEMBL | Assay Description Inhibition of recombinant bovine eNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assay | J Med Chem 60: 7146-7165 (2017) Article DOI: 10.1021/acs.jmedchem.7b00835 BindingDB Entry DOI: 10.7270/Q2639S64 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, endothelial (Homo sapiens (Human)) | BDBM50258688 (CHEMBL4062164) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry, Department of Molecular Biosciences, Chemistry of Life Processes Institute, Center for Molecular Innovation and Drug Discovery, Northwestern University , Evanston, Illinois 6 Curated by ChEMBL | Assay Description Inhibition of recombinant human eNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assay | J Med Chem 60: 7146-7165 (2017) Article DOI: 10.1021/acs.jmedchem.7b00835 BindingDB Entry DOI: 10.7270/Q2639S64 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, inducible (Mus musculus (mouse)) | BDBM50258688 (CHEMBL4062164) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 2.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Chemistry, Department of Molecular Biosciences, Chemistry of Life Processes Institute, Center for Molecular Innovation and Drug Discovery, Northwestern University , Evanston, Illinois 6 Curated by ChEMBL | Assay Description Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate after 30 secs by hemoglobin capture assay | J Med Chem 60: 7146-7165 (2017) Article DOI: 10.1021/acs.jmedchem.7b00835 BindingDB Entry DOI: 10.7270/Q2639S64 | |||||||||||
More data for this Ligand-Target Pair |