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Compile Data Set for Download or QSAR

Found 6 hits of ki data for polymerid = 10068,50006871,50006875   
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 1A3


(Homo sapiens (Human))
BDBM50044561
PNG
(CHEMBL3222137)
Show SMILES OC(=O)CCc1cc(ccc1OCc1ccc2c(O)noc2c1)C(=O)c1ccc(OC2CCCC2)cc1O
Show InChI InChI=1S/C29H27NO8/c31-24-15-21(37-20-3-1-2-4-20)8-10-22(24)28(34)19-6-11-25(18(14-19)7-12-27(32)33)36-16-17-5-9-23-26(13-17)38-30-29(23)35/h5-6,8-11,13-15,20,31H,1-4,7,12,16H2,(H,30,35)(H,32,33)
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2.55E+3n/an/an/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Substrate inhibition of human UGT1A3-mediated T-5224 hydroxyl O-glucuronide formation after 10 to 60 mins in presence of UDP-glucuronic acid by HPLC ...


Drug Metab Dispos 39: 803-13 (2011)


Article DOI: 10.1124/dmd.110.037952
BindingDB Entry DOI: 10.7270/Q2W37Z2V
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1A8


(Homo sapiens (Human))
BDBM50044561
PNG
(CHEMBL3222137)
Show SMILES OC(=O)CCc1cc(ccc1OCc1ccc2c(O)noc2c1)C(=O)c1ccc(OC2CCCC2)cc1O
Show InChI InChI=1S/C29H27NO8/c31-24-15-21(37-20-3-1-2-4-20)8-10-22(24)28(34)19-6-11-25(18(14-19)7-12-27(32)33)36-16-17-5-9-23-26(13-17)38-30-29(23)35/h5-6,8-11,13-15,20,31H,1-4,7,12,16H2,(H,30,35)(H,32,33)
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3.64E+3n/an/an/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Substrate inhibition of human UGT1A8-mediated T-5224 hydroxyl O-glucuronide formation after 10 to 60 mins in presence of UDP-glucuronic acid by HPLC ...


Drug Metab Dispos 39: 803-13 (2011)


Article DOI: 10.1124/dmd.110.037952
BindingDB Entry DOI: 10.7270/Q2W37Z2V
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1A3


(Homo sapiens (Human))
BDBM50044561
PNG
(CHEMBL3222137)
Show SMILES OC(=O)CCc1cc(ccc1OCc1ccc2c(O)noc2c1)C(=O)c1ccc(OC2CCCC2)cc1O
Show InChI InChI=1S/C29H27NO8/c31-24-15-21(37-20-3-1-2-4-20)8-10-22(24)28(34)19-6-11-25(18(14-19)7-12-27(32)33)36-16-17-5-9-23-26(13-17)38-30-29(23)35/h5-6,8-11,13-15,20,31H,1-4,7,12,16H2,(H,30,35)(H,32,33)
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1.35E+4n/an/an/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Substrate inhibition of human UGT1A3-mediated T-5224 acyl O-glucuronide formation after 10 to 60 mins in presence of UDP-glucuronic acid by HPLC meth...


Drug Metab Dispos 39: 803-13 (2011)


Article DOI: 10.1124/dmd.110.037952
BindingDB Entry DOI: 10.7270/Q2W37Z2V
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1A8


(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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2.26E+4n/an/an/an/an/an/an/an/a



Max Rubner-Institute

Curated by ChEMBL


Assay Description
Substrate inhibition of human recombinant UGT1A8 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 1A8


(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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2.34E+4n/an/an/an/an/an/an/an/a



Max Rubner-Institute

Curated by ChEMBL


Assay Description
Substrate inhibition of human recombinant UGT1A8 assessed as IRI-O-4'-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 1A8


(Homo sapiens (Human))
BDBM50358252
PNG
(CHEMBL1922235)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
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3.54E+5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A8 after 10 mins in presence of UDPGA


Drug Metab Dispos 40: 276-82 (2012)


Article DOI: 10.1124/dmd.111.042614
BindingDB Entry DOI: 10.7270/Q2G162JK
More data for this
Ligand-Target Pair