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BDBM50325998 (S)-2-((S,E)-1-((S)-1-carboxy-2-(4-(3-methylbut-2-enyloxy)phenyl)ethylamino)-1,11-dioxooctadec-3-en-2-yl)-2-hydroxysuccinic acid::CHEMBL1241090

SMILES: [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]\[#6@H](-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])cc1)-[#6](-[#8])=O)[C@@]([#8])([#6]-[#6](-[#8])=O)[#6](-[#8])=O

InChI Key: InChIKey=PWGWYCCXYVMVCW-CEXREDFFNA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50325998   
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
Serine palmitoyltransferase 2


(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=1/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+/s2
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KEGG

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UniProtKB/TrEMBL

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KEGG
PC cid
PC sid
UniChem

Patents

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 SPT2 activity in LCB2 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))
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=1/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+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

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