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Compile Data Set for Download or QSAR

Found 3 hits of ic50 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))
BDBM50511112
PNG
(CHEMBL4567446)
Show SMILES COc1cc(cc(n1)-c1ccc(cc1)C(O)=O)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)C2
Show InChI InChI=1S/C28H30N4O5/c1-17(2)32-25-21(16-29-32)14-28(15-23(25)33)8-10-31(11-9-28)26(34)20-12-22(30-24(13-20)37-3)18-4-6-19(7-5-18)27(35)36/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3,(H,35,36)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of UGT1A9 in human liver microsomes incubated for 30 mins in presence of UDPGA by LC-MS/MS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00640
BindingDB Entry DOI: 10.7270/Q2RR22VT
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1A9


(Homo sapiens (Human))
BDBM50508419
PNG
(CHEMBL4471264)
Show SMILES Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2
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PC sid
UniChem
Article
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n/an/a>5.00E+4n/an/an/an/an/an/a



Gwangju Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of UGT1A9 in human liver microsomes assessed as reduction in mycophenolic acid glucuronidation by tandem mass spectrometry analysis


J Med Chem 62: 575-588 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01168
BindingDB Entry DOI: 10.7270/Q2QZ2F8H
More data for this
Ligand-Target Pair
UDP-glucuronosyltransferase 1A9


(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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Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of of UGT1A9 in pooled mixed-gender human liver microsomes using 4-methylumbelliferone substrate by HPLC method


Bioorg Med Chem Lett 25: 1269-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.050
BindingDB Entry DOI: 10.7270/Q2KW5HTQ
More data for this
Ligand-Target Pair