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Compile Data Set for Download or QSAR

Found 8 hits of ki data for polymerid = 10067   
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 1A1


(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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1.54E+3n/an/an/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Substrate inhibition of human UGT1A1-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 1A1


(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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4.67E+3n/an/an/an/an/an/an/an/a



Toyama Chemical Co., Ltd.

Curated by ChEMBL


Assay Description
Substrate inhibition of human UGT1A1-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 1A1


(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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8.50E+3n/an/an/an/an/an/an/an/a



Max Rubner-Institute

Curated by ChEMBL


Assay Description
Substrate inhibition of human recombinant UGT1A1 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 1A1


(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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1.41E+4n/an/an/an/an/an/an/an/a



Max Rubner-Institute

Curated by ChEMBL


Assay Description
Substrate inhibition of human recombinant UGT1A1 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 1A1


(Homo sapiens (Human))
BDBM23411
PNG
(5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
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4.13E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Drug metabolism assessed as human recombinant UGT1A1-mediated formation of scutellarein-7-O-glucuronide after 25 mins by HPLC/UV analysis


Drug Metab Dispos 40: 2009-20 (2012)


Article DOI: 10.1124/dmd.112.047183
BindingDB Entry DOI: 10.7270/Q2V40WXM
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1A1


(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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5.20E+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 UGT1A1


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 1A1


(Homo sapiens (Human))
BDBM50242284
PNG
(CHEMBL487805 | scutellarin)
Show SMILES O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
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9.66E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Drug metabolism assessed as human recombinant UGT1A1-mediated formation of scutellarein-6,7-diglucuronide after 25 mins by HPLC/UV analysis


Drug Metab Dispos 40: 2009-20 (2012)


Article DOI: 10.1124/dmd.112.047183
BindingDB Entry DOI: 10.7270/Q2V40WXM
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1A1


(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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2.21E+5n/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 UGT1A1


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