BDBM25756 (2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol::Betalok::CHEMBL13::Metoprolol::Spesicor::Spesikor::metoprolol tartrate::{2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl}(propan-2-yl)amine

SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1

InChI Key InChIKey=IUBSYMUCCVWXPE-UHFFFAOYSA-N

Data  12 KI  18 IC50  9 Kd  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 25756   

TargetBeta-1 adrenergic receptor(Human)
UniversitÄT WÜRzburg

Curated by PDSP Ki Database
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKi:  47nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBeta-1 adrenergic receptor(Mouse)
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKi:  49nMAssay 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(Human)
UniversitÄT WÜRzburg

Curated by PDSP Ki Database
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKi:  55nMAssay Description:Displacement of [3H]CGP12177 from human beta1 adrenoceptor expressed in HEK293T cell membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBeta-1 adrenergic receptor(Rat)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKi:  63.1nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Human)
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKi:  220nMAssay Description:Displacement of [3H]CGP12177 from human beta2 adrenoceptor expressed in CHO cell membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBeta-2 adrenergic receptor(Rat)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKi:  1.70E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Human)
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKi:  2.96E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 1A(Rat)
University of Lausanne

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKi:  1.00E+4nMAssay 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-3 adrenergic receptor(Human)
UniversitÄT WÜRzburg

Curated by PDSP Ki Database
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1B(Rat)
Niigata College of Pharmacy

Curated by PDSP Ki Database
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Human)
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKi:  2.00E+5nMAssay Description:High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity modelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 3(wild yak)
Kurukshetra University

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKi:  2.30E+5nMAssay Description:Competitive inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate prein...More data for this Ligand-Target Pair
In DepthDetails Article
TargetCytochrome P450 2C9(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2J2(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50:  4.87E+3nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Human)
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50:  1.30E+6nMAssay Description:Concentration required for 50% inhibition at binding site of human P-Glycoprotein (P-gp) in one-affinity modelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50:  1.17E+5nMAssay Description:Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKd:  162nMAssay Description:In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50:  500nMAssay Description:Tested for beta2-adrenergic blocking effect by measuring the ability to inhibit the relaxing effect of epinephrine on the isolated tracheal muscle of...More data for this Ligand-Target Pair
In DepthDetails Article
TargetBeta-1 adrenergic receptor(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50:  320nMAssay Description:Tested for beta2-adrenergic blocking effect by measuring the ability to inhibit the relaxing effect of epinephrine on the isolated tracheal muscle of...More data for this Ligand-Target Pair
In DepthDetails Article
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50: >1.35E+5nMAssay Description:Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 3(wild yak)
Kurukshetra University

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50:  3.15E+5nMAssay Description:Inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrateMore data for this Ligand-Target Pair
In DepthDetails Article
TargetBeta-2 adrenergic receptor(Human)
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKd:  1.55E+4nMAssay Description:Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes assessed as intrinsic Kd by liquid scintilla...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBeta-2 adrenergic receptor(Human)
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKd:  1.55E+4nMAssay Description:Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes assessed as intrinsic Kd by liquid scintilla...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBeta-2 adrenergic receptor(Human)
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKd:  130nMAssay Description:Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetBeta-2 adrenergic receptor(Human)
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKd:  130nMAssay Description:Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using omeprazole substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCytochrome P450 3A4(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Human)
Tongji University

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50:  2.40E+4nMAssay Description:Inhibitory activity against recombinant human Cytochrome P450 2D6 (CYP2D6) after incubated for 45 minutesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKd:  15nMAssay Description:In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataIC50:  190nMAssay Description:Tested for beta1-adrenergic blocking effect by measuring the ability to inhibit the positive inotropic effect of isoproterenol on the isolated right ...More data for this Ligand-Target Pair
In DepthDetails Article
TargetNeuropeptide Y receptor type 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataEC50:  3.54E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNeuropeptide Y receptor type 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataEC50:  9.61E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNeuropeptide Y receptor type 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataEC50:  3.48E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNeuropeptide Y receptor type 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataEC50:  1.62E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBeta-3 adrenergic receptor(Human)
UniversitÄT WÜRzburg

Curated by PDSP Ki Database
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKd:  6.92E+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(Human)
UniversitÄT WÜRzburg

Curated by PDSP Ki Database
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKd:  55nMpH: 7.4 T: 37°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 ArticlePubMedDrugBank

TargetBeta-2 adrenergic receptor(Human)
Friedrich-Alexander Universit£T Erlangen-N£Rnberg

Curated by ChEMBL
LigandPNGBDBM25756((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Affinity DataKd:  129nMAssay 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 ArticlePubMedDrugBank