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Compile Data Set for Download or QSAR

Found 3 hits of ic50 data for polymerid = 50004541   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine palmitoyltransferase 1


(Homo sapiens (Human))
BDBM50535848
PNG
(CHEMBL4584997)
Show SMILES CCCCCCC(=O)c1cc(-c2ccc(CC(O)=O)cc2)c2nccn2c1
Show InChI InChI=1S/C22H24N2O3/c1-2-3-4-5-6-20(25)18-14-19(22-23-11-12-24(22)15-18)17-9-7-16(8-10-17)13-21(26)27/h7-12,14-15H,2-6,13H2,1H3,(H,26,27)
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PC sid
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n/an/a 5.20n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human SPT1 expressed in microsomes of HEK293 cells incubated for 1hr by LC/MS analysis


J Med Chem 59: 5904-10 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01851
More data for this
Ligand-Target Pair
Serine palmitoyltransferase 1


(Homo sapiens (Human))
BDBM50325998
PNG
((S)-2-((S,E)-1-((S)-1-carboxy-2-(4-(3-methylbut-2-...)
Show SMILES CCCCCCCC(=O)CCCCCC\C=C\[C@H](C(=O)N[C@@H](Cc1ccc(OCC=C(C)C)cc1)C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C36H53NO10/c1-4-5-6-9-12-15-28(38)16-13-10-7-8-11-14-17-30(36(46,35(44)45)25-32(39)40)33(41)37-31(34(42)43)24-27-18-20-29(21-19-27)47-23-22-26(2)3/h14,17-22,30-31,46H,4-13,15-16,23-25H2,1-3H3,(H,37,41)(H,39,40)(H,42,43)(H,44,45)/b17-14+/t30-,31+,36+/m1/s1
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPT1 activity in LCB1 transfected human HEK293 cells


Nat Chem Biol 1: 333-7 (2006)


Article DOI: 10.1038/nchembio742
BindingDB Entry DOI: 10.7270/Q2MW2HC2
More data for this
Ligand-Target Pair
Serine palmitoyltransferase 1


(Homo sapiens (Human))
BDBM50535847
PNG
(CHEMBL4541898)
Show SMILES CCCCCCC(=O)N1CCc2c(C1)c(nn2C)-c1ccc(cc1)C(C)(C)C(O)=O
Show InChI InChI=1S/C24H33N3O3/c1-5-6-7-8-9-21(28)27-15-14-20-19(16-27)22(25-26(20)4)17-10-12-18(13-11-17)24(2,3)23(29)30/h10-13H,5-9,14-16H2,1-4H3,(H,29,30)
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PC cid
PC sid
UniChem
Article
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n/an/a 64n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human SPT1 expressed in microsomes of HEK293 cells incubated for 1hr by LC/MS analysis


J Med Chem 59: 5904-10 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01851
More data for this
Ligand-Target Pair