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

Data  8 KI  11 Kd  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 25746   

TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKi:  1.20nMAssay Description:Displacement of [3H]CGP12177 from human beta1 adrenoceptor expressed in HEK293T cell membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Mus musculus)
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKi:  1.40nMAssay Description:Displacement of [3H]CGP12177 from mouse beta1 adrenoceptor expressed in HEK293T cell membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKi:  4.70nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Universit£

Curated by ChEMBL
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKi:  603nMAssay Description:Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacementMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKi:  1.00E+3nMAssay Description:Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
UniversitÄT WÜRzburg

Curated by PDSP Ki Database
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKi:  2.36E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKi:  4.04E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKi:  7.36E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataEC50:  1.00E+4nMAssay Description:Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
UniversitÄT WÜRzburg

Curated by PDSP Ki Database
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKd:  5.50E+3nMAssay Description:Antagonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKd:  0.331nMAssay Description:Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKd:  1.10nMAssay Description:Displacement of [3H](-)CGP12177 from human beta1-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKd:  1.45E+3nMAssay Description:Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKd:  1.51E+3nMAssay Description:Displacement of [3H]-CGP12177 from human beta2 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKd:  1.60nMAssay Description:Displacement of [3H]-CGP12177 from human beta1 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKd:  1.05E+3nMAssay Description:Antagonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKd:  60nMAssay Description:Antagonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as inhibition of CGP12177-induced [3H]cAMP accumulationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Mus musculus (Mouse))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataEC50:  7.61E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMu-type opioid receptor(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataEC50:  9.25E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Assay Provider: Laura Bohn External Assay ID: OPRM1_AC...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-3 adrenergic receptor(Homo sapiens (Human))
UniversitÄT WÜRzburg

Curated by PDSP Ki Database
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKd:  6.46E+3nMAssay Description:The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKd:  1.60nMpH: 7.4 T: 2°CAssay Description:The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25746(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Affinity DataKd:  776nMAssay Description:The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed