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BDBM50131351 (3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-piperazin-1-ylmethyl)-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole::CHEMBL92860
SMILES: COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
InChI Key: InChIKey=XHLHZPFSBCZVEA-HOFKKMOUSA-N
Data: 26 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-2C adrenergic receptor (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine | Bioorg Med Chem Lett 13: 2719-25 (2003) BindingDB Entry DOI: 10.7270/Q2T43SGC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-2C adrenergic receptor (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of [3H]- rauwolscine binding to alpha-2C adrenergic receptor | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine | Bioorg Med Chem Lett 13: 2719-25 (2003) BindingDB Entry DOI: 10.7270/Q2T43SGC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of [3H]- rauwolscine binding to human alpha-2A adrenergic receptor | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description In vitro binding affinity towards rat serotonin transporter | Bioorg Med Chem Lett 13: 2719-25 (2003) BindingDB Entry DOI: 10.7270/Q2T43SGC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of [3H]- paroxetine binding to 5-HTT receptor, serotonin transporter | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine | Bioorg Med Chem Lett 13: 2719-25 (2003) BindingDB Entry DOI: 10.7270/Q2T43SGC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Binding affinity for serotonin transporter | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-2C adrenergic receptor (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Binding affinity for alpha-2C-adrenergic receptor | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Binding affinity for alpha-2A-adrenergic receptor | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-2C adrenergic receptor (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine | Bioorg Med Chem Lett 13: 2719-25 (2003) BindingDB Entry DOI: 10.7270/Q2T43SGC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-2B adrenergic receptor (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of [3H]- rauwolscine binding to alpha-2B adrenergic receptor | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-2B adrenergic receptor (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]rauwolscine | Bioorg Med Chem Lett 13: 2719-25 (2003) BindingDB Entry DOI: 10.7270/Q2T43SGC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Norepinephrine Monoamine transporters (Rattus norvegicus) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of [3H]-nisoxetine binding to Norepinephrine transporter from rat cortex | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description In vitro binding affinity towards rat serotonin transporter | Bioorg Med Chem Lett 13: 2719-25 (2003) BindingDB Entry DOI: 10.7270/Q2T43SGC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-2B adrenergic receptor (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]rauwolscine | Bioorg Med Chem Lett 13: 2719-25 (2003) BindingDB Entry DOI: 10.7270/Q2T43SGC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of [125I]-iodosulpiride binding to Dopamine receptor D3 | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 246 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter of rat striatum | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histamine H1 receptor (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of [3H]pyrilamine binding to Histamine H1 receptor | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of [3H]spiperone binding to Dopamine receptor D4 | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of [3H]spiperone binding to Dopamine receptor D2 | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of [3H]- mesulergine binding to 5-hydroxytryptamine 2C receptor | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of [125I]- R91150 binding to 5-hydroxytryptamine 2A receptor | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adrenergic receptor alpha-1 (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of [3H]- prazosin binding to alpha-1 adrenergic receptor | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 7 (Homo sapiens (Human)) | BDBM50131351 ((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 7 receptor | J Med Chem 48: 2054-71 (2005) Article DOI: 10.1021/jm049619s BindingDB Entry DOI: 10.7270/Q22F7MZC | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
