BDBM50441008 CHEMBL2430150::US9732037, Compound 20
SMILES: C[C@H](OCc1cc(C)cc(N)n1)[C@@H](N)COCc1cc(C)cc(N)n1
InChI Key: InChIKey=BGQWILAWEWZMTG-BBRMVZONSA-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 |
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Nitric-oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50441008 (CHEMBL2430150 | US9732037, Compound 20) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB 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 |
Northwestern University Curated by ChEMBL | Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay | Bioorg Med Chem Lett 23: 5674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.034 BindingDB Entry DOI: 10.7270/Q2MC91G3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM50441008 (CHEMBL2430150 | US9732037, Compound 20) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB US Patent | 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre... | US Patent US9732037 (2017) BindingDB Entry DOI: 10.7270/Q26W9D6H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric Oxide Synthase, inducible (Mus musculus (mouse)) | BDBM50441008 (CHEMBL2430150 | US9732037, Compound 20) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 2.26E+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 using L-arginine as substrate up to 180 seconds by hemoglobin capture assay | Bioorg Med Chem Lett 23: 5674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.034 BindingDB Entry DOI: 10.7270/Q2MC91G3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, inducible (Homo sapiens (Human)) | BDBM50441008 (CHEMBL2430150 | US9732037, Compound 20) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | US Patent | 2.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre... | US Patent US9732037 (2017) BindingDB Entry DOI: 10.7270/Q26W9D6H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric Oxide Synthase, endothelial (Bos taurus (bovine)) | BDBM50441008 (CHEMBL2430150 | US9732037, Compound 20) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 2.54E+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 bovine recombinant eNOS expressed in Escherichia coli using L-arginine as substrate up to 180 seconds by hemoglobin capture assay | Bioorg Med Chem Lett 23: 5674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.08.034 BindingDB Entry DOI: 10.7270/Q2MC91G3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, endothelial (Homo sapiens (Human)) | BDBM50441008 (CHEMBL2430150 | US9732037, Compound 20) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB US Patent | 3.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University US Patent | Assay Description NOS inhibition assays of representative compounds 1-21 were undertaken, and the results are summarized in Table 1, below. All NOS isoforms were expre... | US Patent US9732037 (2017) BindingDB Entry DOI: 10.7270/Q26W9D6H | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |