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BDBM50170849 CHEMBL189296::Thiophosphoric acid tetradecyl ester

SMILES: CCCCCCCCCCCCCCOP(O)(O)=S

InChI Key: InChIKey=BKCMZDGTQVOTOE-UHFFFAOYSA-N

Data: 1 KI  1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50170849   
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))
BDBM50170849
PNG
(CHEMBL189296 | Thiophosphoric acid tetradecyl este...)
Show SMILES CCCCCCCCCCCCCCOP(O)(O)=S
Show InChI InChI=1S/C14H31O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(15,16)19/h2-14H2,1H3,(H2,15,16,19)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
76n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50170849
PNG
(CHEMBL189296 | Thiophosphoric acid tetradecyl este...)
Show SMILES CCCCCCCCCCCCCCOP(O)(O)=S
Show InChI InChI=1S/C14H31O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(15,16)19/h2-14H2,1H3,(H2,15,16,19)
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2.50E+3n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA2 receptor


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50170849
PNG
(CHEMBL189296 | Thiophosphoric acid tetradecyl este...)
Show SMILES CCCCCCCCCCCCCCOP(O)(O)=S
Show InChI InChI=1S/C14H31O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(15,16)19/h2-14H2,1H3,(H2,15,16,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 162n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptor


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair