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Compile Data Set for Download or QSAR

Found 6 hits of ki data for polymerid = 50004837   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
UDP-glucuronosyltransferase 1A9


(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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Article
PubMed
1.10E+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 UGT1A9


Pharmacol Ther 106: 97-132 (2005)


Article DOI: 10.1016/j.pharmthera.2004.10.013
BindingDB Entry DOI: 10.7270/Q2959HZ9
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1A9


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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PubMed
3.44E+5n/an/an/an/an/an/an/an/a



Kanazawa University

Curated by ChEMBL


Assay Description
Drug metabolism assessed as recombinant human UGT1A9 assessed as O-glucuronidation measured as inhibition constant at 10 to 400 uM incubated for 60 m...


Drug Metab Dispos 40: 240-8 (2012)


Article DOI: 10.1124/dmd.111.042150
BindingDB Entry DOI: 10.7270/Q2KS6T8M
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1A9


(Homo sapiens (Human))
BDBM50088502
PNG
(CHEBI:5970 | CHEMBL3527329)
Show SMILES Oc1ccc(cc1)-c1coc2cc3OCOc3c(O)c2c1=O
Show InChI InChI=1S/C16H10O6/c17-9-3-1-8(2-4-9)10-6-20-11-5-12-16(22-7-21-12)15(19)13(11)14(10)18/h1-6,17,19H,7H2
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5.34E+5n/an/an/an/an/an/an/an/a



Max Rubner-Institute

Curated by ChEMBL


Assay Description
Substrate inhibition of human recombinant UGT1A9 assessed as IRI-O-5-monoglucuronide formation incubated for 5 mins prior to UDPGA addition measured ...


Drug Metab Dispos 39: 610-6 (2011)


Article DOI: 10.1124/dmd.110.033076
BindingDB Entry DOI: 10.7270/Q20V8FHC
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1A9


(Homo sapiens (Human))
BDBM50008347
PNG
(5-(2-(diethylamino)ethylamino)-8-hydroxy-6H-imidaz...)
Show SMILES CCN(CC)CCNc1ccc2ncn3c2c1c(=O)c1cc(O)ccc31
Show InChI InChI=1S/C20H22N4O2/c1-3-23(4-2)10-9-21-15-6-7-16-19-18(15)20(26)14-11-13(25)5-8-17(14)24(19)12-22-16/h5-8,11-12,21,25H,3-4,9-10H2,1-2H3
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9.58E+5n/an/an/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A9 activity expressed in baculovirus-infected Sf9 cells


Drug Metab Dispos 40: 1736-43 (2012)


Article DOI: 10.1124/dmd.112.045401
BindingDB Entry DOI: 10.7270/Q25H7J0M
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1A9


(Homo sapiens (Human))
BDBM50088499
PNG
(CHEMBL329092)
Show SMILES CN(C)CCCNc1ccc2nnn3c2c1c(=O)c1cc(O)ccc31
Show InChI InChI=1S/C18H19N5O2/c1-22(2)9-3-8-19-13-5-6-14-17-16(13)18(25)12-10-11(24)4-7-15(12)23(17)21-20-14/h4-7,10,19,24H,3,8-9H2,1-2H3
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1.65E+6n/an/an/an/an/an/an/an/a



Gdansk University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A9 activity expressed in baculovirus-infected Sf9 cells


Drug Metab Dispos 40: 1736-43 (2012)


Article DOI: 10.1124/dmd.112.045401
BindingDB Entry DOI: 10.7270/Q25H7J0M
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1A9


(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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2.45E+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 UGT1A9


Pharmacol Ther 106: 97-132 (2005)


Article DOI: 10.1016/j.pharmthera.2004.10.013
BindingDB Entry DOI: 10.7270/Q2959HZ9
More data for this
Ligand-Target Pair