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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50542078   
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))
BDBM50542078
PNG
(CHEMBL4634704)
Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(F)cc3F)c3ncccc43)(CC1)C2
Show InChI InChI=1S/C27H27F2N3O3/c28-18-4-3-17(21(29)12-18)14-32-22-15-31(11-5-19(22)20-2-1-10-30-24(20)32)23(33)13-26-6-8-27(16-26,9-7-26)25(34)35/h1-4,10,12H,5-9,11,13-16H2,(H,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LysoPLD activity of ATX in human plasma assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs


ACS Med Chem Lett 11: 1335-1341 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00200
BindingDB Entry DOI: 10.7270/Q2DB85D8
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50542078
PNG
(CHEMBL4634704)
Show SMILES OC(=O)C12CCC(CC(=O)N3CCc4c(C3)n(Cc3ccc(F)cc3F)c3ncccc43)(CC1)C2
Show InChI InChI=1S/C27H27F2N3O3/c28-18-4-3-17(21(29)12-18)14-32-22-15-31(11-5-19(22)20-2-1-10-30-24(20)32)23(33)13-26-6-8-27(16-26,9-7-26)25(34)35/h1-4,10,12H,5-9,11,13-16H2,(H,34,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ATX assessed as reduction in choline release using LPC(16:0) as substrate incubated for 15 hrs


ACS Med Chem Lett 11: 1335-1341 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00200
BindingDB Entry DOI: 10.7270/Q2DB85D8
More data for this
Ligand-Target Pair