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SMILES: OC(=O)c1ccccc1SCCCN1C(=O)c2cccc3cccc(C1=O)c23

InChI Key: InChIKey=GMVZUCHUOYUMLL-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50056345   
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 2


(Homo sapiens (Human))
BDBM50056345
PNG
(CHEMBL3322500)
Show SMILES OC(=O)c1ccccc1SCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C22H17NO4S/c24-20-16-9-3-6-14-7-4-10-17(19(14)16)21(25)23(20)12-5-13-28-18-11-2-1-8-15(18)22(26)27/h1-4,6-11H,5,12-13H2,(H,26,27)
NCI pathway
Reactome pathway
KEGG

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CHEMBL
MCE
PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 3.30E+3n/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Agonist activity at human LPA2 expressed in LPA1xLPA2 double knockout mouse MEF cells by Fura-2AM dye based Ca2+ mobilization assay


J Med Chem 57: 7136-40 (2014)


Article DOI: 10.1021/jm5007116
BindingDB Entry DOI: 10.7270/Q22V2HS4
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3


(Homo sapiens (Human))
BDBM50056345
PNG
(CHEMBL3322500)
Show SMILES OC(=O)c1ccccc1SCCCN1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C22H17NO4S/c24-20-16-9-3-6-14-7-4-10-17(19(14)16)21(25)23(20)12-5-13-28-18-11-2-1-8-15(18)22(26)27/h1-4,6-11H,5,12-13H2,(H,26,27)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



The University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA3 expressed in LPA1xLPA2 double knockout mouse MEF cells assessed as reduction in LP18:1-induced calcium mobilization...


J Med Chem 57: 7136-40 (2014)


Article DOI: 10.1021/jm5007116
BindingDB Entry DOI: 10.7270/Q22V2HS4
More data for this
Ligand-Target Pair