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BDBM50057128 (2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine::A-80426::CHEMBL268258
SMILES: COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
InChI Key: InChIKey=MHPMXTGKTXJIDI-IBGZPJMESA-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet  | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Curated by ChEMBL | Assay Description Inhibition constant against 5-hydroxytryptamine 1A receptor | J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-2C adrenergic receptor (Homo sapiens (Human)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.10 | 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 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-2C adrenergic receptor (Homo sapiens (Human)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.10 | 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 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-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.40 | 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)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.5 | 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 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 (Homo sapiens (Human)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article | 3.77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Evaluated for affinity at 5-HT uptake site using [3H]paroxetine as radioligand in radioligand binding assay | Bioorg Med Chem Lett 5: 2287-2292 (1995) Article DOI: 10.1016/0960-894X(95)00398-D BindingDB Entry DOI: 10.7270/Q2T72HZ0 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4 | 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)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4 | 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 | |||||||||||||
| Alpha-2B adrenergic receptor (Homo sapiens (Human)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 11 | 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)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 11 | 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 | |||||||||||||
| D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article | 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity to Dopamine receptor D2 in rat brain using [3H]- spiroperidol radioligand assay | Bioorg Med Chem Lett 5: 2287-2292 (1995) Article DOI: 10.1016/0960-894X(95)00398-D BindingDB Entry DOI: 10.7270/Q2T72HZ0 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Curated by ChEMBL | Assay Description Inhibition constant against Dopamine receptor D2 in olfactory bulbectomized rat | J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 144 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Curated by ChEMBL | Assay Description Inhibition constant against 5-Hydroxytryptamine 2 receptor in olfactory bulbectomized rat | J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 234 | 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(1A) dopamine receptor (RAT) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article | 744 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity to Dopamine receptor D1 in rat striatum using [3H]- SCH-23390 radioligand assay | Bioorg Med Chem Lett 5: 2287-2292 (1995) Article DOI: 10.1016/0960-894X(95)00398-D BindingDB Entry DOI: 10.7270/Q2T72HZ0 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-1 adrenergic receptor (Rattus norvegicus (Rat)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article | 836 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity to beta-1 receptor in rat brain using [3H]- DHA radioligand assay | Bioorg Med Chem Lett 5: 2287-2292 (1995) Article DOI: 10.1016/0960-894X(95)00398-D BindingDB Entry DOI: 10.7270/Q2T72HZ0 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents 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 | |||||||||||||
| 5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents 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 | |||||||||||||
| Norepinephrine Monoamine transporters (Rattus norvegicus) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents 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]-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 | |||||||||||||
| 5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents 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 | |||||||||||||
| Histamine H1 receptor (Homo sapiens (Human)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents 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]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 | |||||||||||||
| Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents 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]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 | |||||||||||||
| D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents 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 | |||||||||||||
| Adrenergic receptor alpha-1 (Homo sapiens (Human)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents 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 | |||||||||||||
| Beta-2 adrenergic receptor (Canis familiaris) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article | 1.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for its binding affinity to beta-2 receptor in rat brain using [3H]- DHA radioligand assay | Bioorg Med Chem Lett 5: 2287-2292 (1995) Article DOI: 10.1016/0960-894X(95)00398-D BindingDB Entry DOI: 10.7270/Q2T72HZ0 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 13.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Park Curated by ChEMBL | Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex | J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50057128 ((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Curated by ChEMBL | Assay Description Inhibitory concentration against serotonin transporter | J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
