BDBM50366043 CHEMBL1956740::US8927730, 3c
SMILES: Cc1cc(N)nc(C[C@H]2CNC[C@H]2OCCNCc2ccccc2O)c1
InChI Key: InChIKey=YLQFJYDIDCSGLP-QFBILLFUSA-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)) | BDBM50366043 (CHEMBL1956740 | US8927730, 3c) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB US Patent | 390 | -9.09 | 3.50E+3 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Northwestern University US Patent | Assay Description The three NOS isoforms, rat nNOS, murine iNOS and bovine eNOS were recombinant enzymes overexpressed in E. coli and purified as reported in the liter... | US Patent US8927730 (2015) BindingDB Entry DOI: 10.7270/Q2610Z1V | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50366043 (CHEMBL1956740 | US8927730, 3c) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 390 | 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 recombinant rat nNOS expressed in Escherichia coli by hemoglobin capture assay | Bioorg Med Chem 20: 2435-43 (2012) Article DOI: 10.1016/j.bmc.2012.01.037 BindingDB Entry DOI: 10.7270/Q26110TZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, endothelial (Bos taurus (bovine)) | BDBM50366043 (CHEMBL1956740 | US8927730, 3c) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 3.70E+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 recombinant bovine eNOS expressed in Escherichia coli by hemoglobin capture assay | Bioorg Med Chem 20: 2435-43 (2012) Article DOI: 10.1016/j.bmc.2012.01.037 BindingDB Entry DOI: 10.7270/Q26110TZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, endothelial (Bos taurus (bovine)) | BDBM50366043 (CHEMBL1956740 | US8927730, 3c) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | US Patent | 3.70E+4 | -6.28 | n/a | n/a | n/a | n/a | n/a | 7.4 | 37 |
Northwestern University US Patent | Assay Description The three NOS isoforms, rat nNOS, murine iNOS and bovine eNOS were recombinant enzymes overexpressed in E. coli and purified as reported in the liter... | US Patent US8927730 (2015) BindingDB Entry DOI: 10.7270/Q2610Z1V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, inducible (Mus musculus (mouse)) | BDBM50366043 (CHEMBL1956740 | US8927730, 3c) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | US Patent | 5.70E+4 | -6.02 | n/a | n/a | n/a | n/a | n/a | 7.4 | 37 |
Northwestern University US Patent | Assay Description The three NOS isoforms, rat nNOS, murine iNOS and bovine eNOS were recombinant enzymes overexpressed in E. coli and purified as reported in the liter... | US Patent US8927730 (2015) BindingDB Entry DOI: 10.7270/Q2610Z1V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, inducible (Mus musculus (mouse)) | BDBM50366043 (CHEMBL1956740 | US8927730, 3c) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 5.70E+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 recombinant mouse iNOS expressed in Escherichia coli by hemoglobin capture assay | Bioorg Med Chem 20: 2435-43 (2012) Article DOI: 10.1016/j.bmc.2012.01.037 BindingDB Entry DOI: 10.7270/Q26110TZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50366043 (CHEMBL1956740 | US8927730, 3c) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibition of rat nNOS expressed in HEK293T cells preincubated for 30 mins prior A23187-induced activation measured after 6 hrs by Griess assay | Bioorg Med Chem 20: 2435-43 (2012) Article DOI: 10.1016/j.bmc.2012.01.037 BindingDB Entry DOI: 10.7270/Q26110TZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Nitric oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50366043 (CHEMBL1956740 | US8927730, 3c) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibition of recombinant rat nNOS expressed in Escherichia coli by hemoglobin capture assay | Bioorg Med Chem 20: 2435-43 (2012) Article DOI: 10.1016/j.bmc.2012.01.037 BindingDB Entry DOI: 10.7270/Q26110TZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |