Search and Browse
Download
Enter Data
BDBM50019355 1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-isoquinoline-6,7-diol::1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol::CHEMBL299175::R(+)-TMQ::TMQ, Racemic::Tretoquinol
SMILES: COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC
InChI Key: InChIKey=RGVPOXRFEPSFGH-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 10.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ohio State University Curated by PDSP Ki Database | J Pharmacol Exp Ther 270: 665-74 (1994) BindingDB Entry DOI: 10.7270/Q2RN36CJ | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 20.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ohio State University Curated by PDSP Ki Database | J Pharmacol Exp Ther 270: 665-74 (1994) BindingDB Entry DOI: 10.7270/Q2RN36CJ | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-2 adrenergic receptor (GUINEA PIG) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 22.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ohio State University Curated by PDSP Ki Database | J Pharmacol Exp Ther 270: 665-74 (1994) BindingDB Entry DOI: 10.7270/Q2RN36CJ | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis Curated by ChEMBL | Assay Description Binding affinity for human Beta-2 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ... | J Med Chem 39: 3701-11 (1996) Article DOI: 10.1021/jm960208o BindingDB Entry DOI: 10.7270/Q2Q52SBM | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Curated by ChEMBL | Assay Description Binding Affinity against human beta-2 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand | J Med Chem 42: 2287-94 (1999) Article DOI: 10.1021/jm990012z BindingDB Entry DOI: 10.7270/Q2057JN4 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 45.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ohio State University Curated by PDSP Ki Database | J Pharmacol Exp Ther 270: 665-74 (1994) BindingDB Entry DOI: 10.7270/Q2RN36CJ | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-2 adrenergic receptor (GUINEA PIG) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ohio State University Curated by ChEMBL | Assay Description Binding affinity against Beta-2 adrenergic receptor in guinea pig lung membranes | J Med Chem 35: 466-79 (1992) BindingDB Entry DOI: 10.7270/Q27D2WF8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-1 adrenergic receptor (GUINEA PIG) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ohio State University Curated by ChEMBL | Assay Description Binding affinity against Beta-1 adrenergic receptor in guinea pig left ventricle | J Med Chem 35: 466-79 (1992) BindingDB Entry DOI: 10.7270/Q27D2WF8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-1 adrenergic receptor (GUINEA PIG) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 87.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ohio State University Curated by PDSP Ki Database | J Pharmacol Exp Ther 270: 665-74 (1994) BindingDB Entry DOI: 10.7270/Q2RN36CJ | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adrenergic receptor beta (Rattus norvegicus (Rat)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [3H]dihydroalprenolol binding to Beta adrenergic receptor from rat cerebral cortical membranes | J Med Chem 23: 648-52 (1980) BindingDB Entry DOI: 10.7270/Q2P2719M | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-2 adrenergic receptor (GUINEA PIG) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ohio State University Curated by PDSP Ki Database | J Pharmacol Exp Ther 270: 665-74 (1994) BindingDB Entry DOI: 10.7270/Q2RN36CJ | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Thromboxane A2 receptor (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 162 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis Curated by ChEMBL | Assay Description Binding affinity for human Platelet Thromboxane A2 / Prostaglandin (TP), by radioligand competition binding assays using [3H]-SQ 29548 as radioligand | J Med Chem 39: 3701-11 (1996) Article DOI: 10.1021/jm960208o BindingDB Entry DOI: 10.7270/Q2Q52SBM | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 324 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee-Memphis Curated by ChEMBL | Assay Description Binding affinity for human Beta-1 adrenergic receptor expressed in CHO cells by radioligand competition binding assays using [125I]iodocyanopindolol ... | J Med Chem 39: 3701-11 (1996) Article DOI: 10.1021/jm960208o BindingDB Entry DOI: 10.7270/Q2Q52SBM | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 324 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Curated by ChEMBL | Assay Description Binding Affinity against human Beta-1 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand | J Med Chem 42: 2287-94 (1999) Article DOI: 10.1021/jm990012z BindingDB Entry DOI: 10.7270/Q2057JN4 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-2 adrenergic receptor and beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Curated by ChEMBL | Assay Description Binding Affinity against human Beta-3 adrenergic receptor expressed in Chinese hamster ovary(CHO) cells was measured by using [125I]ICYP radioligand | J Med Chem 42: 2287-94 (1999) Article DOI: 10.1021/jm990012z BindingDB Entry DOI: 10.7270/Q2057JN4 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [3H]spiroperidol binding to dopamine receptor from rat striatum membranes | J Med Chem 23: 648-52 (1980) BindingDB Entry DOI: 10.7270/Q2P2719M | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| TBXA2R (MOUSE) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Edinburgh Curated by PDSP Ki Database | Br J Pharmacol 79: 953-64 (1983) Article DOI: 10.1111/j.1476-5381.1983.tb10541.x BindingDB Entry DOI: 10.7270/Q2SX6BPF | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adrenergic receptor alpha (Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of [3H]WB-4101 binding to alpha adrenergic receptor from rat cerebral cortical membranes | J Med Chem 23: 648-52 (1980) BindingDB Entry DOI: 10.7270/Q2P2719M | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adrenergic receptor beta (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for its intrinsic activity against beta adrenergic receptor of isolated guinea pig atrial pairs | J Med Chem 29: 2381-4 (1986) BindingDB Entry DOI: 10.7270/Q2000499 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for its inhibitory activity against CHO cells expressing the cloned human beta2 adrenergic receptor (AR) in the presence of [1... | Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for its inhibitory activity against human Beta-1 adrenergic receptor | Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for its inhibitory activity against human beta2 adrenergic receptor (AR) | Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for its inhibitory activity against human beta1 adrenergic receptor (AR) | Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-1 adrenergic receptor (GUINEA PIG) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 174 | n/a | n/a | n/a | n/a |
Ohio State University Curated by ChEMBL | Assay Description Inhibitory activity against Beta-1 adrenergic receptor in guinea pig atria after treatment with the compound | J Med Chem 35: 466-79 (1992) BindingDB Entry DOI: 10.7270/Q27D2WF8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Prostanoid TP receptor (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 282 | n/a | n/a | n/a | n/a | n/a | n/a |
Ohio State University Curated by ChEMBL | Assay Description Inhibitory activity against U-46,619-induced responses in human platelet aggregation (Thromboxane A2 alpha receptor) | J Med Chem 35: 466-79 (1992) BindingDB Entry DOI: 10.7270/Q27D2WF8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Prostanoid TP receptor (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 447 | n/a | n/a | n/a | n/a | n/a | n/a |
Ohio State University Curated by ChEMBL | Assay Description Inhibitory concentration against radioligand [3H]SQ-29,548 (5 nM) binding to TP receptors in human platelets | J Med Chem 40: 85-91 (1997) Article DOI: 10.1021/jm950896w BindingDB Entry DOI: 10.7270/Q2DZ09KB | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-2 adrenergic receptor (GUINEA PIG) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
Ohio State University Curated by ChEMBL | Assay Description Inhibitory activity against Beta-2 adrenergic receptor in guinea pig trachea after treatment with the compound | J Med Chem 35: 466-79 (1992) BindingDB Entry DOI: 10.7270/Q27D2WF8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against human beta3 adrenergic receptor (AR) | Bioorg Med Chem Lett 10: 2283-6 (2001) BindingDB Entry DOI: 10.7270/Q2F47NCG | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
