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BDBM50300204 (2R)-2-acetylamino-N-benzyl-3-methoxypropanamide::(R)-2-Acetylamino-N-benzyl-3-methoxy-propionamide::(R)-2-acetamido-N-benzyl-3-methoxypropanamide::(R)-N-benzyl 2-acetamido-3-methoxypropionamide::(R)-N-benzyl 2-acetamido-3-methoxypropionamide,::CHEMBL58323::Erlosamide::LACOSAMIDE

SMILES: COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1

InChI Key: InChIKey=VPPJLAIAVCUEMN-GFCCVEGCSA-N

Data: 13 KI  11 IC50

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 24 hits for monomerid = 50300204   
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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331n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydrase assay


J Med Chem 53: 850-4 (2010)


Article DOI: 10.1021/jm901524f
BindingDB Entry DOI: 10.7270/Q2PV6M96
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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341n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5B by stopped flow CO2 hydrase assay


J Med Chem 53: 850-4 (2010)


Article DOI: 10.1021/jm901524f
BindingDB Entry DOI: 10.7270/Q2PV6M96
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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353n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydrase assay


J Med Chem 53: 850-4 (2010)


Article DOI: 10.1021/jm901524f
BindingDB Entry DOI: 10.7270/Q2PV6M96
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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362n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped flow CO2 hydrase assay


J Med Chem 53: 850-4 (2010)


Article DOI: 10.1021/jm901524f
BindingDB Entry DOI: 10.7270/Q2PV6M96
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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374n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA3 by stopped flow CO2 hydrase assay


J Med Chem 53: 850-4 (2010)


Article DOI: 10.1021/jm901524f
BindingDB Entry DOI: 10.7270/Q2PV6M96
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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412n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA6 by stopped flow CO2 hydrase assay


J Med Chem 53: 850-4 (2010)


Article DOI: 10.1021/jm901524f
BindingDB Entry DOI: 10.7270/Q2PV6M96
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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461n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CA15 by stopped flow CO2 hydrase assay


J Med Chem 53: 850-4 (2010)


Article DOI: 10.1021/jm901524f
BindingDB Entry DOI: 10.7270/Q2PV6M96
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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473n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA14 by stopped flow CO2 hydrase assay


J Med Chem 53: 850-4 (2010)


Article DOI: 10.1021/jm901524f
BindingDB Entry DOI: 10.7270/Q2PV6M96
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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525n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA4 by stopped flow CO2 hydrase assay


J Med Chem 53: 850-4 (2010)


Article DOI: 10.1021/jm901524f
BindingDB Entry DOI: 10.7270/Q2PV6M96
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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1.21E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA13 by stopped flow CO2 hydrase assay


J Med Chem 53: 850-4 (2010)


Article DOI: 10.1021/jm901524f
BindingDB Entry DOI: 10.7270/Q2PV6M96
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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3.71E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 by stopped flow CO2 hydrase assay


J Med Chem 53: 850-4 (2010)


Article DOI: 10.1021/jm901524f
BindingDB Entry DOI: 10.7270/Q2PV6M96
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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4.45E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA7 by stopped flow CO2 hydrase assay


J Med Chem 53: 850-4 (2010)


Article DOI: 10.1021/jm901524f
BindingDB Entry DOI: 10.7270/Q2PV6M96
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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4.57E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5A by stopped flow CO2 hydrase assay


J Med Chem 53: 850-4 (2010)


Article DOI: 10.1021/jm901524f
BindingDB Entry DOI: 10.7270/Q2PV6M96
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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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))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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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
Multidrug resistance-associated protein 4


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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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
Sodium channel protein type III alpha subunit


(Rattus norvegicus)
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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n/an/a 415n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat inactivated voltage-gated Na channel 1.3 expressed in human HEK293 cells by patch-clamp technique


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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n/an/a 182n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human inactivated voltage-gated Na channel 1.7 expressed in HEK293 cells by patch-clamp technique


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to voltage-gated Na channel 1.8 in Sprague-Dawley rat L4/L5 DRG neurons by patch-clamp technique


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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n/an/a 5.01E+7n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assay


J Pharmacol Toxicol Methods 70: 246-54 (2014)


Article DOI: 10.1016/j.vascn.2014.07.002
BindingDB Entry DOI: 10.7270/Q2J104W7
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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n/an/a 5.01E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automat...


J Pharmacol Toxicol Methods 70: 246-54 (2014)


Article DOI: 10.1016/j.vascn.2014.07.002
BindingDB Entry DOI: 10.7270/Q2J104W7
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 2


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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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
Calcium channel (Type L)


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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n/an/a 5.01E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using Ion...


J Pharmacol Toxicol Methods 70: 246-54 (2014)


Article DOI: 10.1016/j.vascn.2014.07.002
BindingDB Entry DOI: 10.7270/Q2J104W7
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50300204
PNG
((2R)-2-acetylamino-N-benzyl-3-methoxypropanamide |...)
Show SMILES COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
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n/an/a 2.51E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using Ion...


J Pharmacol Toxicol Methods 70: 246-54 (2014)


Article DOI: 10.1016/j.vascn.2014.07.002
BindingDB Entry DOI: 10.7270/Q2J104W7
More data for this
Ligand-Target Pair