BDBM50446245 CHEMBL3109193::US9732037, Compound 13
SMILES: Cc1cc(N)nc(CO[C@H]2CN[C@@H](COCCOCc3cccc(F)c3)C2)c1
InChI Key: InChIKey=HBLUENCDTVSVQJ-UYAOXDASSA-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, brain (Rattus norvegicus (rat)) | BDBM50446245![]() (CHEMBL3109193 | US9732037, Compound 13) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 330 | 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 overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex mea... | ACS Med Chem Lett 5: 56-60 (2014) Article DOI: 10.1021/ml400381s BindingDB Entry DOI: 10.7270/Q2GT5PMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM50446245![]() (CHEMBL3109193 | US9732037, Compound 13) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | US Patent | 330 | 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, inducible (Homo sapiens (Human)) | BDBM50446245![]() (CHEMBL3109193 | US9732037, Compound 13) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | US Patent | 8.47E+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, inducible (Mus musculus (mouse)) | BDBM50446245![]() (CHEMBL3109193 | US9732037, Compound 13) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.47E+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 overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex m... | ACS Med Chem Lett 5: 56-60 (2014) Article DOI: 10.1021/ml400381s BindingDB Entry DOI: 10.7270/Q2GT5PMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, endothelial (Homo sapiens (Human)) | BDBM50446245![]() (CHEMBL3109193 | US9732037, Compound 13) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | US Patent | 1.17E+4 | 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)) | BDBM50446245![]() (CHEMBL3109193 | US9732037, Compound 13) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.17E+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 overexpressed in Escherichia coli using L-arginine as substrate assessed as formation of NO-hemoglobin complex ... | ACS Med Chem Lett 5: 56-60 (2014) Article DOI: 10.1021/ml400381s BindingDB Entry DOI: 10.7270/Q2GT5PMG | |||||||||||
More data for this Ligand-Target Pair |