BDBM50088396 2-(4-Nitro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid {2-hydroxy-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propyl}-amide::CHEMBL68746
SMILES: CC(C)Oc1ccccc1N1CCN(CC(O)CNC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)[N+]([O-])=O)CC1
InChI Key: InChIKey=UQMPYAUGLXZWSM-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50088396 (2-(4-Nitro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoind...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity towards cloned human alpha-1A adrenergic receptor was determined using [125]-HEAT as radioligand | J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Homo sapiens (Human)) | BDBM50088396 (2-(4-Nitro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoind...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity towards cloned human alpha-1D adrenergic receptor was determined using [125]-HEAT as radioligand | J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic alpha1B (Homo sapiens (Human)) | BDBM50088396 (2-(4-Nitro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoind...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The R.W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity towards cloned human alpha-1B adrenergic receptor was determined using [125]-HEAT as radioligand | J Med Chem 43: 2183-95 (2000) BindingDB Entry DOI: 10.7270/Q2XW4J20 | |||||||||||
More data for this Ligand-Target Pair |