BDBM25746 2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy}propyl)amino]ethoxy}benzamide; methanesulfonic acid::CGP 20712-A::CGP-20712A::cid_2685
SMILES: Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F
InChI Key: InChIKey=GKJZEKSHCJELPL-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)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL | Assay Description Displacement of [3H]CGP12177 from human beta1 adrenoceptor expressed in HEK293T cell membranes | Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Mus musculus) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL | Assay Description Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranes | Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg Curated by PDSP Ki Database | Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004) Article DOI: 10.1007/s00210-003-0860-y BindingDB Entry DOI: 10.7270/Q2PZ57C6 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 603 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lausanne Curated by ChEMBL | Assay Description Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement | J Med Chem 39: 126-34 (1996) Article DOI: 10.1021/jm950410b BindingDB Entry DOI: 10.7270/Q2VX0K7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase 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 |
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL | Assay Description Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranes | Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg Curated by PDSP Ki Database | Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004) Article DOI: 10.1007/s00210-003-0860-y BindingDB Entry DOI: 10.7270/Q2PZ57C6 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 4.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg Curated by PDSP Ki Database | Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004) Article DOI: 10.1007/s00210-003-0860-y BindingDB Entry DOI: 10.7270/Q2PZ57C6 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 7.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation Curated by PDSP Ki Database | Biochem Pharmacol 45: 375-83 (1993) Article DOI: 10.1016/0006-2952(93)90073-6 BindingDB Entry DOI: 10.7270/Q2BZ64JG | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs | J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Antagonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ... | J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 0.331 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ... | J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a |
Philipps-University Marburg Curated by ChEMBL | Assay Description Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method | ACS Med Chem Lett 8: 481-485 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 1.45E+3 | n/a | n/a | n/a | n/a | n/a |
Philipps-University Marburg Curated by ChEMBL | Assay Description Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method | ACS Med Chem Lett 8: 481-485 (2017) BindingDB Entry DOI: 10.7270/Q2WM1GNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Displacement of [3H]-CGP12177 from human beta2 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis | J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis | J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Antagonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ... | J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham Curated by ChEMBL | Assay Description Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of CGP12177-induced [3H]cAMP accumulation | J Med Chem 56: 3852-65 (2013) Article DOI: 10.1021/jm400348g BindingDB Entry DOI: 10.7270/Q2445NV6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (5HT2A) (Mus musculus (Mouse)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 7.61E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q24B2ZZ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 9.25E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC... | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2833QNG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 6.46E+3 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham | Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined... | Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | 7.4 | 37 |
University of Nottingham | Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined... | Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 776 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham | Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined... | Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV | |||||||||||
More data for this Ligand-Target Pair |