BDBM50100214 3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-7,8-dimethyl-1H-quinazoline-2,4-dione::CHEMBL431720
SMILES: COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(C)c(C)ccc5c4=O)C[C@@H]3CCc12
InChI Key: InChIKey=YWCSJTNACFIWMO-LAUBAEHRSA-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 (Rattus norvegicus (Rat)) | BDBM50100214 (3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Binding affinity to alpha-1A adrenergic receptor in rat submaxillary gland | J Med Chem 44: 1971-85 (2001) BindingDB Entry DOI: 10.7270/Q2KP81GH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat)) | BDBM50100214 (3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Binding affinity of the compound to rat alpha-1D adrenergic receptor expressed in LTK cells | J Med Chem 44: 1971-85 (2001) BindingDB Entry DOI: 10.7270/Q2KP81GH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1B adrenergic receptor (Homo sapiens (Human)) | BDBM50100214 (3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Binding affinity to hamster alpha-1B adrenergic receptor | J Med Chem 44: 1971-85 (2001) BindingDB Entry DOI: 10.7270/Q2KP81GH | |||||||||||
More data for this Ligand-Target Pair |