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BDBM50176396 CHEMBL204037::Serine amide phospate derivative::phosphoric acid mono-((S)-2-octanoylamino-2-octylcarbamoyl-ethyl) ester

SMILES: CCCCCCCCNC(=O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCC

InChI Key: InChIKey=KYYOMFFWXGDZHH-KRWDZBQOSA-N

Data: 1 KI  1 IC50

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

Found 2 hits for monomerid = 50176396   
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
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50176396
PNG
(CHEMBL204037 | Serine amide phospate derivative | ...)
Show SMILES CCCCCCCCNC(=O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCC
Show InChI InChI=1S/C19H39N2O6P/c1-3-5-7-9-11-13-15-20-19(23)17(16-27-28(24,25)26)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,26)/t17-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
196n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50176396
PNG
(CHEMBL204037 | Serine amide phospate derivative | ...)
Show SMILES CCCCCCCCNC(=O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCC
Show InChI InChI=1S/C19H39N2O6P/c1-3-5-7-9-11-13-15-20-19(23)17(16-27-28(24,25)26)21-18(22)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,20,23)(H,21,22)(H2,24,25,26)/t17-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 414n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair