BDBM50331293 7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-ol::CHEMBL1289403
SMILES: COc1ccc2C(O)CN(CCCCc3ccccc3)CCc2c1
InChI Key: InChIKey=NXWYICVCGHHJOR-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 |
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GluN1/GluN2B NMDA receptor (Homo sapiens (Human)) | BDBM50331293 (7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL | Assay Description Displacement of [3H]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting | Bioorg Med Chem 18: 8005-15 (2010) Article DOI: 10.1016/j.bmc.2010.09.026 BindingDB Entry DOI: 10.7270/Q28W3DJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human)) | BDBM50331293 (7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cells co-expressing GluN1a after 120 mins by scintillation counting method | Bioorg Med Chem 22: 6638-46 (2015) Article DOI: 10.1016/j.bmc.2014.10.004 BindingDB Entry DOI: 10.7270/Q2ZW1NH7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma intracellular receptor 2 (Rattus norvegicus (Rat)) | BDBM50331293 (7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H]-Di-o-tolylguanidine from sigma-2 receptor in rat liver membranes after 180 mins by scintillation counting method | Bioorg Med Chem 27: 3559-3567 (2019) Article DOI: 10.1016/j.bmc.2019.06.035 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50331293 (7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL | Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor guinea pig brain after 180 mins scintillation counting | Bioorg Med Chem 18: 8005-15 (2010) Article DOI: 10.1016/j.bmc.2010.09.026 BindingDB Entry DOI: 10.7270/Q28W3DJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50331293 (7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method | Bioorg Med Chem 22: 6638-46 (2015) Article DOI: 10.1016/j.bmc.2014.10.004 BindingDB Entry DOI: 10.7270/Q2ZW1NH7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma-1 receptor (Cavia porcellus (Guinea pig)) | BDBM50331293 (7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL | Assay Description Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis | Bioorg Med Chem 25: 5365-5372 (2017) Article DOI: 10.1016/j.bmc.2017.07.059 BindingDB Entry DOI: 10.7270/Q25M6856 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma-1 receptor (Cavia porcellus (Guinea pig)) | BDBM50331293 (7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain cortex membranes incubated for 180 mins by scintillation counting metho... | Eur J Med Chem 177: 47-62 (2019) Article DOI: 10.1016/j.ejmech.2019.05.034 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma-1 receptor (Cavia porcellus (Guinea pig)) | BDBM50331293 (7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 211 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H]-(+)pentazocine from sigma-1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method | Bioorg Med Chem 27: 3559-3567 (2019) Article DOI: 10.1016/j.bmc.2019.06.035 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma intracellular receptor 2 (Rattus norvegicus (Rat)) | BDBM50331293 (7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 554 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H]-di-o-tolylguanidine from sigma2 receptor in rat liver membranes incubated for 180 mins by scintillation counting method | Eur J Med Chem 177: 47-62 (2019) Article DOI: 10.1016/j.ejmech.2019.05.034 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GluN1/GluN2B NMDA receptor (Homo sapiens (Human)) | BDBM50331293 (7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 706 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster, Corrensstra?e 48, D-48149 Münster, Germany. Curated by ChEMBL | Assay Description Displacement of [3H]ifenprodil from human NR1-1a/NR2B receptor expressed in Mouse L(tk-) cell membranes incubated for 120 mins by scintillation count... | Bioorg Med Chem 25: 5365-5372 (2017) Article DOI: 10.1016/j.bmc.2017.07.059 BindingDB Entry DOI: 10.7270/Q25M6856 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glutamate receptor ionotropic, NMDA 2B (Homo sapiens (Human)) | BDBM50331293 (7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 706 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H]ifenprodil from human GluN2B expressed in mouse L(tk-) cell membranes co-expressing GluN1a incubated for 120 mins by scintillatio... | Bioorg Med Chem 27: 3559-3567 (2019) Article DOI: 10.1016/j.bmc.2019.06.035 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GluN1/GluN2B NMDA receptor (Homo sapiens (Human)) | BDBM50331293 (7-methoxy-3-(4-phenylbutyl)-2,3,4,5-tetrahydro-1H-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster Curated by ChEMBL | Assay Description Antagonist activity at human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells assessed as inhibition of (S)-glutamate/glycine-stimula... | Bioorg Med Chem 18: 8005-15 (2010) Article DOI: 10.1016/j.bmc.2010.09.026 BindingDB Entry DOI: 10.7270/Q28W3DJB | |||||||||||
More data for this Ligand-Target Pair |