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BDBM25759 CHEMBL723::Carvedilol::Coreg::Dilatrend::Eucardic::[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl][2-(2-methoxyphenoxy)ethyl]amine

SMILES: COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12

InChI Key: InChIKey=OGHNVEJMJSYVRP-UHFFFAOYSA-N

Data: 7 KI  22 IC50  4 Kd

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 25759   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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0.810n/an/an/an/an/an/an/an/a



Rzeszów University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation method


Eur J Med Chem 44: 809-17 (2009)


Article DOI: 10.1016/j.ejmech.2008.05.019
BindingDB Entry DOI: 10.7270/Q29Z94QJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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1.10n/an/an/an/an/an/an/an/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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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1.70n/an/an/an/an/an/an/an/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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Rzesz£w University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Prazosin from alpha1 adrenergic receptor in Wistar rat cerebral cortex membrane by liquid scintillation counting


Eur J Med Chem 44: 5103-11 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.012
BindingDB Entry DOI: 10.7270/Q2668H17
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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3.20n/an/an/an/an/an/an/an/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
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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3.40n/an/an/an/an/an/an/an/a



Rzesz£w University of Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]Clonidine from alpha2 adrenergic receptor in Wistar rat cerebral cortex membrane by liquid scintillation counting


Eur J Med Chem 44: 5103-11 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.012
BindingDB Entry DOI: 10.7270/Q2668H17
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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247n/an/an/an/an/an/an/an/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
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 2.03E+4n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in oocytes assessed as reversible current depression


J Med Chem 59: 5149-57 (2016)


BindingDB Entry DOI: 10.7270/Q2319XSS
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 10


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of TREK2 (unknown origin) expressed in oocytes assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)


BindingDB Entry DOI: 10.7270/Q2319XSS
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 10


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of TREK2 (unknown origin) expressed in HEK293 cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)


BindingDB Entry DOI: 10.7270/Q2319XSS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 1.05E+4n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Potassium channel HERG expressed in mammalian cells


Bioorg Med Chem Lett 13: 2773-5 (2003)


BindingDB Entry DOI: 10.7270/Q2QZ2BGZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 350n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against IKr potassium channel


Bioorg Med Chem Lett 14: 4771-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.070
BindingDB Entry DOI: 10.7270/Q208661K
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cells


Biochem Biophys Res Commun 289: 580-5 (2001)


Article DOI: 10.1006/bbrc.2001.6000
BindingDB Entry DOI: 10.7270/Q21N82C8
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Rhodamine 123 efflux in NIH-3T3-G185 cells


Biochem Biophys Res Commun 289: 580-5 (2001)


Article DOI: 10.1006/bbrc.2001.6000
BindingDB Entry DOI: 10.7270/Q21N82C8
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cells


Biochem Biophys Res Commun 289: 580-5 (2001)


Article DOI: 10.1006/bbrc.2001.6000
BindingDB Entry DOI: 10.7270/Q21N82C8
More data for this
Ligand-Target Pair
Multidrug and toxin extrusion protein 1


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 9.24E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay


J Med Chem 56: 781-95 (2013)


Article DOI: 10.1021/jm301302s
BindingDB Entry DOI: 10.7270/Q2F76DWZ
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assay


J Med Chem 56: 781-95 (2013)


Article DOI: 10.1021/jm301302s
BindingDB Entry DOI: 10.7270/Q2F76DWZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 1.05E+4n/an/an/an/an/an/a



Reverse proteomics research institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against potassium channel HERG


Bioorg Med Chem Lett 15: 2886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.080
BindingDB Entry DOI: 10.7270/Q29S1S7C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 1.05E+4n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique


Bioorg Med Chem 16: 6252-60 (2008)


Article DOI: 10.1016/j.bmc.2008.04.028
BindingDB Entry DOI: 10.7270/Q25D8T25
More data for this
Ligand-Target Pair
Adrenergic Alpha


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro inhibition of geranylgeranyl-protein transferase type-I


J Med Chem 60: 2685-2696 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01317
BindingDB Entry DOI: 10.7270/Q2NV9MHQ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay 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...


Toxicol Sci 136: 216-41 (2013)


BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay 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...


Toxicol Sci 136: 216-41 (2013)


BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay 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 ...


Toxicol Sci 136: 216-41 (2013)


BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 2


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...


Toxicol Sci 136: 216-41 (2013)


BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Toll-like receptor 4


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 3.22E+4n/an/an/an/an/an/a



School of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at human TLR4 expressed in HEK blue cells coexpressing MD-2/CD14 assessed as inhibition of LPS-induced NF-kappaB activation-media...


Eur J Med Chem 154: 253-266 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.033
BindingDB Entry DOI: 10.7270/Q2R49T96
More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in HEK293 cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)


BindingDB Entry DOI: 10.7270/Q2319XSS
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A1


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS method


Drug Metab Dispos 39: 322-9 (2011)


Article DOI: 10.1124/dmd.110.035030
BindingDB Entry DOI: 10.7270/Q2PC343R
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A1


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS method


Drug Metab Dispos 39: 322-9 (2011)


Article DOI: 10.1124/dmd.110.035030
BindingDB Entry DOI: 10.7270/Q2PC343R
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/an/a 5n/an/an/an/an/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-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/an/a 0.400n/an/an/an/an/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-2 adrenergic receptor


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/an/a 0.195n/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...


J Med Chem 62: 7806-7839 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00595
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/a 1.26E+4n/an/an/an/an/an/a



TCG Lifesciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Eur J Med Chem 46: 618-30 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.042
BindingDB Entry DOI: 10.7270/Q2WQ052W
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/an/a 1.76n/an/an/a7.437



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