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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 22 member 12' and Ligand = 'BDBM50158460'   
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 22 member 12


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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Article
PubMed
n/an/a 26n/an/an/an/an/an/a



University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of human URAT1 expressed in xenopus oocyte assessed as inhibition of [14C]-labelled urate uptake after 60 mins by liquid scintillation cou...


J Med Chem 54: 2701-13 (2011)


Article DOI: 10.1021/jm1015022
BindingDB Entry DOI: 10.7270/Q2P26ZDR
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of URAT1 (unknown origin) transfected in dog MDCK cells assessed as inhibition of [14C]uric acid uptake by liquid scintillation counting m...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00176
BindingDB Entry DOI: 10.7270/Q2TQ6587
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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n/an/a 35n/an/an/an/an/an/a



University of Colorado Anschutz Medical Campus

Curated by ChEMBL


Assay Description
Inhibition of human URAT1 expressed in human MDCK cells


J Med Chem 54: 2701-13 (2011)


Article DOI: 10.1021/jm1015022
BindingDB Entry DOI: 10.7270/Q2P26ZDR
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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n/an/a<100n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human URAT1 expressed in Xenopus oocytes by [14C]urate uptake assay


J Med Chem 63: 3834-3867 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01237
BindingDB Entry DOI: 10.7270/Q26113PD
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human URAT1 expressed in HEK293T cells assessed as reduction in [14C]uric acid uptake measured after 5 mins by liquid scintillation cou...


Bioorg Med Chem Lett 27: 1919-1922 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.041
BindingDB Entry DOI: 10.7270/Q2NK3H6D
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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n/an/a 190n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human URAT1 expressed in Xenopus laevis oocytes assessed as inhibition of [14C]uric acid uptake measured after 60 mins by liquid scinti...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00176
BindingDB Entry DOI: 10.7270/Q2TQ6587
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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n/an/a 220n/an/an/an/an/an/a



West China Hospital of Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of URAT1 (unknown origin)


Eur J Med Chem 166: 186-196 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.043
BindingDB Entry DOI: 10.7270/Q20C50BS
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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n/an/a 300n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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n/an/a 300n/an/an/an/an/an/a



The Chinese University of Hong Kong

Curated by ChEMBL


Assay Description
Inhibition of human URAT1-mediated urate uptake in HEK293 cells


Drug Metab Dispos 35: 981-6 (2007)


Article DOI: 10.1124/dmd.106.012187
BindingDB Entry DOI: 10.7270/Q2KK9CPP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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US Patent
n/an/a 550n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Human kidney embryonic cells HEK-293T were grown in a petri dish (diameter=10 cm) containing DMEM and 10% of bovine fetal serum culture solution, and...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2M047RG
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
KEGG

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US Patent
n/an/a 750n/an/an/an/an/an/a



Wellstat Therapeutics Corporation

US Patent


Assay Description
URAT1 (Uric Acid Transporter 1) is expressed on the apical membrane in renal tubules. It mediates the re-uptake of uric acid from the urine into the ...


US Patent US8889724 (2014)


BindingDB Entry DOI: 10.7270/Q2DV1HK5
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of URAT1 in human RPTEC assessed as inhibition of [14C]uric acid uptake preincubated for 15 mins followed by [14C]uric acid addition and i...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00176
BindingDB Entry DOI: 10.7270/Q2TQ6587
More data for this
Ligand-Target Pair