BDBM50108654 1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-(hexahydropyridine)]-1-yl]-3-phenylpropane::CHEMBL138458
SMILES: COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
InChI Key: InChIKey=IJKYJDDNDXAREJ-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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Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50108654 (1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Sigma opioid receptor type 1 affinity in guinea pig brain by employing [3H](+)-pentazocine as radioligand. | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50108654 (1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 307 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguanidine as radioligand | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NMDA receptor subunit 2C (GluN2C) (Rattus norvegicus (Rat)) | BDBM50108654 (1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of MK 801 binding to NMDA, PCP receptor | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
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Histamine H1 receptor (Homo sapiens (Human)) | BDBM50108654 (1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of mepyramine binding to Histamine H1 receptor | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
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Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50108654 (1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of [125I][MePhe7]-NKB binding to human Tachykinin receptor 3 (NK3) | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50108654 (1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of [125I]-NKA binding to human Tachykinin receptor 2 (NK2) | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dopamine D1 receptor (Mus musculus (Mouse)) | BDBM50108654 (1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of SCH 23390 binding to Dopamine receptor D1 | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50108654 (1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of ketanserin binding to 5-hydroxytryptamine 2A receptor | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50108654 (1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of idazoxane binding to noradrenaline alpha-2 receptor | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glycine receptor alpha-4 chain (Mus musculus) | BDBM50108654 (1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of MDL 105519 binding to NMDA, glycine receptor | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 3A (Homo sapiens (Human)) | BDBM50108654 (1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of GR-65630 binding to 5-hydroxytryptamine 3 receptor | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50108654 (1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description The compound was tested for inhibition of dopamine reuptake | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (5HT1A) (Mus musculus (Mouse)) | BDBM50108654 (1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of 5-OH-DPAT binding to 5-hydroxytryptamine 1A receptor | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50108654 (1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of [Sar9,Met(O2)11]-SP binding to human Tachykinin receptor 1 (NK1) | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
More data for this Ligand-Target Pair |