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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'cheng' and Initial = 'ch'   
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))
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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5.74E+3n/an/an/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 by competitive inhibition assay


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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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))
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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n/an/a 2.00E+3n/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


(Rattus norvegicus)
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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n/an/a 1.80E+4n/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 rat renal brush border membrane vesicles


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
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM35440
PNG
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)
Show SMILES O=c1[nH]cnc2n[nH]cc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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n/an/a 2.42E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) by spectrophotometry


J Nat Prod 62: 1053-5 (1999)


Article DOI: 10.1021/np990009i
BindingDB Entry DOI: 10.7270/Q2MP531P
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50242286
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethox...)
Show SMILES COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c1O
Show InChI InChI=1S/C17H14O8/c1-23-16-10(20)6-11-12(13(16)21)14(22)17(24-2)15(25-11)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3
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n/an/a 3.60E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) by spectrophotometry


J Nat Prod 62: 1053-5 (1999)


Article DOI: 10.1021/np990009i
BindingDB Entry DOI: 10.7270/Q2MP531P
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50240898
PNG
(5,7-Dihydroxy-3,6-dimethoxy-2-(4-methoxy-phenyl)-c...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC
Show InChI InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)16-18(24-3)15(21)13-12(25-16)8-11(19)17(23-2)14(13)20/h4-8,19-20H,1-3H3
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n/an/a 3.65E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin) by spectrophotometry


J Nat Prod 62: 1053-5 (1999)


Article DOI: 10.1021/np990009i
BindingDB Entry DOI: 10.7270/Q2MP531P
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM50206509
PNG
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
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n/an/a 5.00E+4n/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))
BDBM50026604
PNG
(1,2-Diphenyl-3,5-dioxo-4-(2-phenylsulfinylethyl)py...)
Show SMILES Oc1c(CCS(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1-c1ccccc1
Show InChI InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,26H,16-17H2
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n/an/a 1.00E+5n/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