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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50047118   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149290
PNG
(CHEMBL3771175)
Show SMILES CCOc1ncccc1CCC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C13H17NO6/c1-2-20-11-9(4-3-7-14-11)5-6-13(19,12(17)18)8-10(15)16/h3-4,7,19H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149291
PNG
(CHEMBL3770609)
Show SMILES CCOc1ncccc1CC[C@@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-2-20-11-9(4-3-7-14-11)5-6-13(19,12(17)18)8-10(15)16/h3-4,7,19H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)/t13-/s2
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Rattus norvegicus)
BDBM50149244
PNG
(CHEMBL3771118)
Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/s2
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n/an/a 120n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT in rat hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Rattus norvegicus)
BDBM50149244
PNG
(CHEMBL3771118)
Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/s2
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n/an/a 126n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT in rat hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149291
PNG
(CHEMBL3770609)
Show SMILES CCOc1ncccc1CC[C@@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-2-20-11-9(4-3-7-14-11)5-6-13(19,12(17)18)8-10(15)16/h3-4,7,19H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)/t13-/s2
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n/an/a 126n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149290
PNG
(CHEMBL3771175)
Show SMILES CCOc1ncccc1CCC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C13H17NO6/c1-2-20-11-9(4-3-7-14-11)5-6-13(19,12(17)18)8-10(15)16/h3-4,7,19H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)
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n/an/a 126n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149289
PNG
(CHEMBL3770497)
Show SMILES CCOc1ncc(C)cc1CCC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C14H19NO6/c1-3-21-12-10(6-9(2)8-15-12)4-5-14(20,13(18)19)7-11(16)17/h6,8,20H,3-5,7H2,1-2H3,(H,16,17)(H,18,19)
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n/an/a 190n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149289
PNG
(CHEMBL3770497)
Show SMILES CCOc1ncc(C)cc1CCC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C14H19NO6/c1-3-21-12-10(6-9(2)8-15-12)4-5-14(20,13(18)19)7-11(16)17/h6,8,20H,3-5,7H2,1-2H3,(H,16,17)(H,18,19)
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n/an/a 200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Mus musculus)
BDBM50149244
PNG
(CHEMBL3771118)
Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/s2
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT in mouse hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Mus musculus)
BDBM50149244
PNG
(CHEMBL3771118)
Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/s2
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT in mouse hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149293
PNG
(CHEMBL3770675)
Show SMILES CC(C)Oc1ncccc1CCC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C14H19NO6/c1-9(2)21-12-10(4-3-7-15-12)5-6-14(20,13(18)19)8-11(16)17/h3-4,7,9,20H,5-6,8H2,1-2H3,(H,16,17)(H,18,19)
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n/an/a 316n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149236
PNG
(CHEMBL3770370)
Show SMILES COc1ncc(C)cc1CCC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)
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n/an/a 316n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149291
PNG
(CHEMBL3770609)
Show SMILES CCOc1ncccc1CC[C@@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-2-20-11-9(4-3-7-14-11)5-6-13(19,12(17)18)8-10(15)16/h3-4,7,19H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)/t13-/s2
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149291
PNG
(CHEMBL3770609)
Show SMILES CCOc1ncccc1CC[C@@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-2-20-11-9(4-3-7-14-11)5-6-13(19,12(17)18)8-10(15)16/h3-4,7,19H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)/t13-/s2
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149293
PNG
(CHEMBL3770675)
Show SMILES CC(C)Oc1ncccc1CCC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C14H19NO6/c1-9(2)21-12-10(4-3-7-15-12)5-6-14(20,13(18)19)8-11(16)17/h3-4,7,9,20H,5-6,8H2,1-2H3,(H,16,17)(H,18,19)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149294
PNG
(CHEMBL3769578)
Show SMILES CC(C)(C)c1ccc(CC[C@@](O)(CC(O)=O)C(O)=O)cc1 |r|
Show InChI InChI=1/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)/t16-/s2
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n/an/a 410n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149244
PNG
(CHEMBL3771118)
Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/s2
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n/an/a 501n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149294
PNG
(CHEMBL3769578)
Show SMILES CC(C)(C)c1ccc(CC[C@@](O)(CC(O)=O)C(O)=O)cc1 |r|
Show InChI InChI=1/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)/t16-/s2
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n/an/a 501n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149244
PNG
(CHEMBL3771118)
Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/s2
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n/an/a 510n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149236
PNG
(CHEMBL3770370)
Show SMILES COc1ncc(C)cc1CCC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149244
PNG
(CHEMBL3771118)
Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/s2
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n/an/a 740n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149215
PNG
(CHEMBL3769514)
Show SMILES CC(C)(C)c1ccc(CCC(O)(CC(O)=O)C(O)=O)cc1
Show InChI InChI=1/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)
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n/an/a 794n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149244
PNG
(CHEMBL3771118)
Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/s2
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n/an/a 794n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149215
PNG
(CHEMBL3769514)
Show SMILES CC(C)(C)c1ccc(CCC(O)(CC(O)=O)C(O)=O)cc1
Show InChI InChI=1/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)
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n/an/a 800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149233
PNG
(CHEMBL3769911)
Show SMILES COc1ccc(C)cc1CCC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C14H18O6/c1-9-3-4-11(20-2)10(7-9)5-6-14(19,13(17)18)8-12(15)16/h3-4,7,19H,5-6,8H2,1-2H3,(H,15,16)(H,17,18)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149233
PNG
(CHEMBL3769911)
Show SMILES COc1ccc(C)cc1CCC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C14H18O6/c1-9-3-4-11(20-2)10(7-9)5-6-14(19,13(17)18)8-12(15)16/h3-4,7,19H,5-6,8H2,1-2H3,(H,15,16)(H,17,18)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149247
PNG
(CHEMBL3769766)
Show SMILES COc1ncccc1CCC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C12H15NO6/c1-19-10-8(3-2-6-13-10)4-5-12(18,11(16)17)7-9(14)15/h2-3,6,18H,4-5,7H2,1H3,(H,14,15)(H,16,17)
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n/an/a 3.16E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149247
PNG
(CHEMBL3769766)
Show SMILES COc1ncccc1CCC(O)(CC(O)=O)C(O)=O
Show InChI InChI=1/C12H15NO6/c1-19-10-8(3-2-6-13-10)4-5-12(18,11(16)17)7-9(14)15/h2-3,6,18H,4-5,7H2,1H3,(H,14,15)(H,16,17)
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n/an/a 3.37E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 2


(Homo sapiens (Human))
BDBM50149244
PNG
(CHEMBL3771118)
Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/s2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaDC1 (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 3


(Homo sapiens (Human))
BDBM50149244
PNG
(CHEMBL3771118)
Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/s2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaDC3 (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 2


(Homo sapiens (Human))
BDBM50149244
PNG
(CHEMBL3771118)
Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/s2
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n/an/a 1.32E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaDC1 (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 3


(Homo sapiens (Human))
BDBM50149244
PNG
(CHEMBL3771118)
Show SMILES COc1ncc(C)cc1CC[C@@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/s2
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n/an/a 1.41E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaDC3 (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149294
PNG
(CHEMBL3769578)
Show SMILES CC(C)(C)c1ccc(CC[C@@](O)(CC(O)=O)C(O)=O)cc1 |r|
Show InChI InChI=1/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)/t16-/s2
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n/an/a 1.58E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149294
PNG
(CHEMBL3769578)
Show SMILES CC(C)(C)c1ccc(CC[C@@](O)(CC(O)=O)C(O)=O)cc1 |r|
Show InChI InChI=1/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)/t16-/s2
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n/an/a 1.62E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149223
PNG
(CHEMBL3770439)
Show SMILES OC(=O)CC(O)(CCc1ccccc1)C(O)=O
Show InChI InChI=1/C12H14O5/c13-10(14)8-12(17,11(15)16)7-6-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H,13,14)(H,15,16)
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n/an/a>1.70E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149246
PNG
(CHEMBL3769920)
Show SMILES COc1ncc(C)cc1CC[C@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-8-5-9(11(20-2)14-7-8)3-4-13(19,12(17)18)6-10(15)16/h5,7,19H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)/t13-/s2
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n/an/a>1.80E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149292
PNG
(CHEMBL3771155)
Show SMILES CCOc1ncccc1CC[C@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-2-20-11-9(4-3-7-14-11)5-6-13(19,12(17)18)8-10(15)16/h3-4,7,19H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)/t13-/s2
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n/an/a>2.50E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 5


(Homo sapiens (Human))
BDBM50149292
PNG
(CHEMBL3771155)
Show SMILES CCOc1ncccc1CC[C@](O)(CC(O)=O)C(O)=O |r|
Show InChI InChI=1/C13H17NO6/c1-2-20-11-9(4-3-7-14-11)5-6-13(19,12(17)18)8-10(15)16/h3-4,7,19H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)/t13-/s2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaCT in human hepatocytes assessed as [14C]-citrate uptake after 30 mins by scintillation counting method


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 3


(Homo sapiens (Human))
BDBM50149294
PNG
(CHEMBL3769578)
Show SMILES CC(C)(C)c1ccc(CC[C@@](O)(CC(O)=O)C(O)=O)cc1 |r|
Show InChI InChI=1/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)/t16-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaDC3 (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair
Solute carrier family 13 member 2


(Homo sapiens (Human))
BDBM50149294
PNG
(CHEMBL3769578)
Show SMILES CC(C)(C)c1ccc(CC[C@@](O)(CC(O)=O)C(O)=O)cc1 |r|
Show InChI InChI=1/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)/t16-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of NaDC1 (unknown origin) expressed in HEK293 cells assessed as inhibition of [14C]citrate uptake by microbeta plate reader analysis


J Med Chem 59: 1165-75 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1NRC
More data for this
Ligand-Target Pair