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Compile Data Set for Download or QSAR

Found 119 hits Enz. Inhib. hit(s) with Target = 'Gamma-butyrobetaine dioxygenase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50007906
PNG
(MELDONIUM | Meldonium)
Show SMILES C[N+](C)(C)NCCC([O-])=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3
PDB
MMDB

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PubMed
1.60E+4n/an/an/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of BBOX (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50008027
PNG
(CHEMBL3234384)
Show SMILES CN(CCC([O-])=O)[N+](C)(C)C
Show InChI InChI=1S/C7H16N2O2/c1-8(9(2,3)4)6-5-7(10)11/h5-6H2,1-4H3
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n/an/a 90n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50007999
PNG
(CHEMBL3234371)
Show SMILES [Cl-].C[N+](C)(C)CCCP(O)(O)=O
Show InChI InChI=1S/C6H16NO3P.ClH/c1-7(2,3)5-4-6-11(8,9)10;/h4-6H2,1-3H3,(H-,8,9,10);1H
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n/an/a 100n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50007967
PNG
(CHEMBL3234364)
Show SMILES [Cl-].C[N+](C)(CCCl)CCCC(O)=O
Show InChI InChI=1S/C8H16ClNO2.ClH/c1-10(2,7-5-9)6-3-4-8(11)12;/h3-7H2,1-2H3;1H
PDB
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n/an/a 260n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50007936
PNG
(CHEMBL3234354)
Show SMILES [Cl-].C[N+]1(CCCC(O)=O)CCCC1
Show InChI InChI=1S/C9H17NO2.ClH/c1-10(6-2-3-7-10)8-4-5-9(11)12;/h2-8H2,1H3;1H
PDB
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n/an/a 490n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50008009
PNG
(CHEMBL3234372)
Show SMILES C[N+](C)(C)CCCP([O-])=O
Show InChI InChI=1S/C6H16NO2P/c1-7(2,3)5-4-6-10(8)9/h10H,4-6H2,1-3H3
PDB
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n/an/a 520n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50008011
PNG
(CHEMBL3234373)
Show SMILES CC[N+](C)(C)CCCP([O-])=O
Show InChI InChI=1S/C7H18NO2P/c1-4-8(2,3)6-5-7-11(9)10/h11H,4-7H2,1-3H3
PDB
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n/an/a 530n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50007934
PNG
(CHEMBL3234352)
Show SMILES [Cl-].C[N+](C)(CCF)CCCC(O)=O
Show InChI InChI=1S/C8H16FNO2.ClH/c1-10(2,7-5-9)6-3-4-8(11)12;/h3-7H2,1-2H3;1H
PDB
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n/an/a 610n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
PDB
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n/an/a 690n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 1 min using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 710n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
PDB
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n/an/a 720n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 760n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50007915
PNG
(CHEMBL3234348)
Show SMILES C[N+](C)(CCCC([O-])=O)C1CCC1
Show InChI InChI=1S/C10H19NO2/c1-11(2,9-5-3-6-9)8-4-7-10(12)13/h9H,3-8H2,1-2H3
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n/an/a 810n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
PDB
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n/an/a 830n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50007968
PNG
(CHEMBL3234365)
Show SMILES [Cl-].C[N+](C)(CCBr)CCCC(O)=O
Show InChI InChI=1S/C8H16BrNO2.ClH/c1-10(2,7-5-9)6-3-4-8(11)12;/h3-7H2,1-2H3;1H
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n/an/a 1.20E+3n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50007940
PNG
(CHEMBL3234358)
Show SMILES C[N+](C)(CCCC([O-])=O)CC#C
Show InChI InChI=1S/C9H15NO2/c1-4-7-10(2,3)8-5-6-9(11)12/h1H,5-8H2,2-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50007974
PNG
(CHEMBL3234370)
Show SMILES C[N+](C)(C)CCCS([O-])(=O)=O
Show InChI InChI=1S/C6H15NO3S/c1-7(2,3)5-4-6-11(8,9)10/h4-6H2,1-3H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50007914
PNG
(CHEMBL3234347)
Show SMILES C[N+](C)(CCCC([O-])=O)C1CC1
Show InChI InChI=1S/C9H17NO2/c1-10(2,8-5-6-8)7-3-4-9(11)12/h8H,3-7H2,1-2H3
PDB
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n/an/a 2.10E+3n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028968
PNG
(CHEMBL3335712)
Show SMILES Cl[Se]c1ccccc1
Show InChI InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028971
PNG
(CHEMBL3335713)
Show SMILES Br[Se]c1ccccc1
Show InChI InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028972
PNG
(BENZENE SELENOIC ACID | Benzene Selenoic Acid)
Show SMILES O[Se](=O)c1ccccc1
Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50007938
PNG
(CHEMBL3234356)
Show SMILES C[N+](C)(CCCC([O-])=O)CC=C
Show InChI InChI=1S/C9H17NO2/c1-4-7-10(2,3)8-5-6-9(11)12/h4H,1,5-8H2,2-3H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50008031
PNG
(CHEMBL3234387)
Show SMILES CCN(CCC([O-])=O)[N+](C)(C)C
Show InChI InChI=1S/C8H18N2O2/c1-5-9(10(2,3)4)7-6-8(11)12/h5-7H2,1-4H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028968
PNG
(CHEMBL3335712)
Show SMILES Cl[Se]c1ccccc1
Show InChI InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028971
PNG
(CHEMBL3335713)
Show SMILES Br[Se]c1ccccc1
Show InChI InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50008030
PNG
(CHEMBL3234386)
Show SMILES CCC[N+](C)(C)N(C)CCC([O-])=O
Show InChI InChI=1S/C9H20N2O2/c1-5-8-11(3,4)10(2)7-6-9(12)13/h5-8H2,1-4H3
PDB
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n/an/a 3.10E+3n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028968
PNG
(CHEMBL3335712)
Show SMILES Cl[Se]c1ccccc1
Show InChI InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H
PDB
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50007908
PNG
(CHEMBL3234342)
Show SMILES CC[N+](C)(C)CCCC([O-])=O
Show InChI InChI=1S/C8H17NO2/c1-4-9(2,3)7-5-6-8(10)11/h4-7H2,1-3H3
PDB
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n/an/a 3.30E+3n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028971
PNG
(CHEMBL3335713)
Show SMILES Br[Se]c1ccccc1
Show InChI InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H
PDB
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028971
PNG
(CHEMBL3335713)
Show SMILES Br[Se]c1ccccc1
Show InChI InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H
PDB
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50007973
PNG
(CHEBI:17237 | CHEMBL3234369)
Show SMILES C[N+](C)(C)C\C=C\C([O-])=O
Show InChI InChI=1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/b5-4+
PDB
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n/an/a 3.80E+3n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028968
PNG
(CHEMBL3335712)
Show SMILES Cl[Se]c1ccccc1
Show InChI InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H
PDB
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028972
PNG
(BENZENE SELENOIC ACID | Benzene Selenoic Acid)
Show SMILES O[Se](=O)c1ccccc1
Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
PDB
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028968
PNG
(CHEMBL3335712)
Show SMILES Cl[Se]c1ccccc1
Show InChI InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H
PDB
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 1 min using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50007939
PNG
(CHEMBL3234357)
Show SMILES CC(C)[N+](C)(C)CCCC([O-])=O
Show InChI InChI=1S/C9H19NO2/c1-8(2)10(3,4)7-5-6-9(11)12/h8H,5-7H2,1-4H3
PDB
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n/an/a 5.70E+3n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM43362
PNG
(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Show SMILES CN(C)C(=S)SSC(=S)N(C)C
Show InChI InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
PDB
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n/an/a 5.80E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028972
PNG
(BENZENE SELENOIC ACID | Benzene Selenoic Acid)
Show SMILES O[Se](=O)c1ccccc1
Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
PDB
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50007995
PNG
(ETHYL DIMETHYL AMMONIO PROPANE SULFONATE)
Show SMILES CC[N+](C)(C)CCCS([O-])(=O)=O
Show InChI InChI=1S/C7H17NO3S/c1-4-8(2,3)6-5-7-12(9,10)11/h4-7H2,1-3H3
PDB
MMDB

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n/an/a 6.70E+3n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50008024
PNG
(CHEMBL3234381)
Show SMILES C[N+](C)(NCCC([O-])=O)C=C
Show InChI InChI=1S/C7H14N2O2/c1-4-9(2,3)8-6-5-7(10)11/h4,8H,1,5-6H2,2-3H3
PDB
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n/an/a 6.80E+3n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028971
PNG
(CHEMBL3335713)
Show SMILES Br[Se]c1ccccc1
Show InChI InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H
PDB
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 1 min using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50008028
PNG
(CHEMBL3234385)
Show SMILES CC[N+](C)(C)N(C)CCC([O-])=O
Show InChI InChI=1S/C8H18N2O2/c1-5-10(3,4)9(2)7-6-8(11)12/h5-7H2,1-4H3
PDB
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n/an/a 7.20E+3n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM43362
PNG
(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Show SMILES CN(C)C(=S)SSC(=S)N(C)C
Show InChI InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
PDB
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n/an/a 7.90E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50008025
PNG
(CHEMBL3234382)
Show SMILES [Br-].C[N+](C)(CCCl)NCCC(O)=O
Show InChI InChI=1S/C7H15ClN2O2.BrH/c1-10(2,6-4-8)9-5-3-7(11)12;/h9H,3-6H2,1-2H3;1H
PDB
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n/an/a 1.02E+4n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028972
PNG
(BENZENE SELENOIC ACID | Benzene Selenoic Acid)
Show SMILES O[Se](=O)c1ccccc1
Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
PDB
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM43362
PNG
(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Show SMILES CN(C)C(=S)SSC(=S)N(C)C
Show InChI InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
PDB
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028967
PNG
(CHEMBL3335714)
Show SMILES O[Se]c1ccccc1
Show InChI InChI=1S/C6H6OSe/c7-8-6-4-2-1-3-5-6/h1-5,7H
PDB
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028967
PNG
(CHEMBL3335714)
Show SMILES O[Se]c1ccccc1
Show InChI InChI=1S/C6H6OSe/c7-8-6-4-2-1-3-5-6/h1-5,7H
PDB
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50008026
PNG
(CHEMBL3234383)
Show SMILES [Br-].C[N+](C)(CC#C)NCCC(O)=O
Show InChI InChI=1S/C8H14N2O2.BrH/c1-4-7-10(2,3)9-6-5-8(11)12;/h1,9H,5-7H2,2-3H3;1H
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n/an/a 2.40E+4n/an/an/an/an/an/a



Latvian Biomedical Research and Study centre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BBOX expressed in Saccharomyces cerevisiae AH22 assessed as formation of carnitine from gamma-butyrobetaine preincuba...


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50028967
PNG
(CHEMBL3335714)
Show SMILES O[Se]c1ccccc1
Show InChI InChI=1S/C6H6OSe/c7-8-6-4-2-1-3-5-6/h1-5,7H
PDB
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
Gamma-butyrobetaine dioxygenase


(Homo sapiens)
BDBM50193145
PNG
(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Show SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O
Show InChI InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay


Citation and Details
More data for this
Ligand-Target Pair
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