BDBM50014710 CHEMBL3262019::US10759791, Compound 4
SMILES: Cc1cc(N)nc(CCc2cccc(c2)C(O)Cc2cc(C)cc(N)n2)c1
InChI Key: InChIKey=UYRPOLYEPACPCW-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)) | BDBM50014710![]() (CHEMBL3262019 | US10759791, Compound 4) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid PDB UniChem Similars | PDB US Patent | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Nitric-oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50014710![]() (CHEMBL3262019 | US10759791, Compound 4) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 70 | 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 purified rat nNOS assessed as inhibition of nitric oxide-mediated oxidation of hemoglobin-A by hemoglobin capture assay | J Med Chem 57: 4382-96 (2014) Article DOI: 10.1021/jm5004182 BindingDB Entry DOI: 10.7270/Q21R6S26 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Nitric-oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50014710![]() (CHEMBL3262019 | US10759791, Compound 4) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid PDB UniChem Similars | PDB US Patent | 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, inducible (Mus musculus (mouse)) | BDBM50014710![]() (CHEMBL3262019 | US10759791, Compound 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric-oxide synthase, endothelial (Bos taurus (bovine)) | BDBM50014710![]() (CHEMBL3262019 | US10759791, Compound 4) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | 2.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric Oxide Synthase, endothelial (Bos taurus (bovine)) | BDBM50014710![]() (CHEMBL3262019 | US10759791, Compound 4) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 3.61E+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 purified bovine eNOS assessed as inhibition of nitric oxide-mediated oxidation of hemoglobin-A by hemoglobin capture assay | J Med Chem 57: 4382-96 (2014) Article DOI: 10.1021/jm5004182 BindingDB Entry DOI: 10.7270/Q21R6S26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric-oxide synthase, endothelial (Bos taurus (bovine)) | BDBM50014710![]() (CHEMBL3262019 | US10759791, Compound 4) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | 3.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric Oxide Synthase, inducible (Mus musculus (mouse)) | BDBM50014710![]() (CHEMBL3262019 | US10759791, Compound 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 5.99E+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 purified mouse iNOS assessed as inhibition of nitric oxide-mediated oxidation of hemoglobin-A by hemoglobin capture assay | J Med Chem 57: 4382-96 (2014) Article DOI: 10.1021/jm5004182 BindingDB Entry DOI: 10.7270/Q21R6S26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, inducible (Mus musculus (mouse)) | BDBM50014710![]() (CHEMBL3262019 | US10759791, Compound 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid PDB UniChem Similars | US Patent | 5.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description Enzyme inhibition was evaluated by measuring NO production with the hemoglobin capture assay, which was performed with purified NOSs in 96-well plate... | US Patent US10759791 (2020) | |||||||||||
More data for this Ligand-Target Pair |