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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with Target = 'Uridine-5'-diphosphoglucuronosyltransferase 1A6' 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
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM50085045
PNG
(5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-...)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1O
Show InChI InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,26-27H,9-12H2,1-4H3,(H,25,28)
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PubMed
2.00E+4n/an/an/an/an/an/an/an/a



The University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of AZT glucuronidation by human recombinant UGT1A6


Citation and Details
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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2.30E+4n/an/an/an/an/an/an/an/a



The University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A6


Citation and Details
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(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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1.43E+6n/an/an/an/an/an/an/an/a



The University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of 4-methylumbelliferone glucuronidation by human recombinant UGT1A6


Citation and Details
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM21363
PNG
(12-chloro-9-(2-fluorophenyl)-3-methyl-2,4,8-triaza...)
Show SMILES Cc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12
Show InChI InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3
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n/an/a 2.30E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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n/an/a 4.60E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM50014323
PNG
(2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...)
Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
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n/an/a 6.70E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM50001839
PNG
(CHEMBL428647 | PACLITAXEL | taxol)
Show SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
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n/an/a 7.40E+4n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM50241343
PNG
((RS)-6-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2...)
Show SMILES COc1ccc2nc([nH]c2c1)S(=O)Cc1ncc(C)c(OC)c1C
Show InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
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n/an/a 1.85E+5n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM50027886
PNG
(1-Butyl-3-(p-methylphenylsulfonyl)urea | 1-Butyl-3...)
Show SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
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n/an/a 2.81E+5n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM213826
PNG
(Dextromethorphan)
Show SMILES COc1ccc2C[C@@H]3[C@H]4CCCC[C@]4(CCN3C)c2c1
Show InChI InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17-,18-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM50121975
PNG
((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...)
Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM50290811
PNG
(5-Chloro-3H-benzooxazol-2-one | 5-Chloro-benzooxaz...)
Show SMILES Clc1ccc2oc(=O)[nH]c2c1
Show InChI InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
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n/an/a>3.00E+5n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM234400
PNG
(Chlormethiazole)
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n/an/a>3.00E+5n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM234401
PNG
(Oleandomycin)
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n/an/a>3.00E+5n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM50090677
PNG
(4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1
Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2
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n/an/a>3.00E+5n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM50048392
PNG
(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one...)
Show SMILES CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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n/an/a>3.00E+5n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM21361
PNG
((5S)-5-Ethyl-3-methyl-5-phenyl-2,4-imidazolidinedi...)
Show SMILES CC[C@]1(NC(=O)N(C)C1=O)c1ccccc1
Show InChI InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)/t12-/m0/s1
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TBA



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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM12342
PNG
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES O=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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n/an/a>3.00E+5n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM50103451
PNG
(CHEMBL3398252)
Show SMILES O\C(=C/C(=O)c1cc(Cc2cc(F)cc(F)c2)cn(Cc2ccccc2F)c1=O)C(=O)N1CCN(CC1)c1ccc(cc1)-n1cccc1
Show InChI InChI=1S/C37H31F3N4O4/c38-28-18-25(19-29(39)21-28)17-26-20-32(36(47)44(23-26)24-27-5-1-2-6-33(27)40)34(45)22-35(46)37(48)43-15-13-42(14-16-43)31-9-7-30(8-10-31)41-11-3-4-12-41/h1-12,18-23,46H,13-17,24H2/b35-22-
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n/an/a>3.00E+5n/an/an/an/an/an/a



UGA Center for Drug Discovery and the College of Pharmacy, University of Georgia, R.C. Wilson Pharmacy, Room 320A, Athens, GA 30602, USA. Electronic address: vnair@uga.edu.

Curated by ChEMBL


Assay Description
Inhibition of of UGT1A6 in pooled mixed-gender human liver microsomes using 4-methylumbelliferone substrate by HPLC method


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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM50420191
PNG
(ACETPHENETIDIN | Acetophenetidin | PHENACETIN)
Show SMILES CCOc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
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n/an/a>3.00E+5n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A6


(Homo sapiens (Human))
BDBM50236897
PNG
(3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H...)
Show SMILES Cc1nc2n(Cc3ccco3)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14)
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AffyNet 
n/an/a>3.00E+5n/an/an/an/an/an/a


TBA



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Ligand-Target Pair