BDBM50386379 CHEMBL2048416
SMILES: CCOc1ccc(Cc2nc3cc(NC(N)=N[N+]([O-])=O)ccc3n2CCN(CC)CC)cc1
InChI Key: InChIKey=PAYMSIRNJASWBJ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50386379 (CHEMBL2048416) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting | ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, brain (Homo sapiens (Human)) | BDBM50386379 (CHEMBL2048416) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of human recombinant nNOS assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins measured after 45 mins by ... | ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric oxide synthase, endothelial (Homo sapiens (Human)) | BDBM50386379 (CHEMBL2048416) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of human recombinant eNOS assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins measured after 45 mins by ... | ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM50386379 (CHEMBL2048416) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 1 hr by HTRF ... | ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4 | |||||||||||
More data for this Ligand-Target Pair |