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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50233166   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50233166
PNG
(CHEMBL4060128 | US11124490, Compound 3g)
Show SMILES Fc1c(Cl)cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1Cl
Show InChI InChI=1S/C17H13Cl4FN2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAg-tagged ATX lysophospholipase D activity expressed in baculovirus infected sf9 cells using FRET based ...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM50233166
PNG
(CHEMBL4060128 | US11124490, Compound 3g)
Show SMILES Fc1c(Cl)cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1Cl
Show InChI InChI=1S/C17H13Cl4FN2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 40.1n/an/an/an/an/an/a


TBA

Assay Description
Compound 3b was found to be the most potent ATX inhibitor with an IC50 of about 9 nM. The mechanism of action was determined to be competitive; howev...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29Z982P
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50233166
PNG
(CHEMBL4060128 | US11124490, Compound 3g)
Show SMILES Fc1c(Cl)cc(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)cc1Cl
Show InChI InChI=1S/C17H13Cl4FN2O4S/c18-11-8-12(19)15(29(26,27)24-1-3-28-4-2-24)7-10(11)17(25)23-9-5-13(20)16(22)14(21)6-9/h5-8H,1-4H2,(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 receptor (unknown origin) expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium level...


J Med Chem 60: 1309-1324 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01270
BindingDB Entry DOI: 10.7270/Q2K64MBD
More data for this
Ligand-Target Pair