BDBM555280 3-((2,6-dichloro-7-fluoro-1-(1-propyl-1H-pyrazol-4-yl)-1H-indol-3-yl)thio)-2-fluorobenzoic acid ::US11344533, Compound 1-13

SMILES CCCn1cc(cn1)-n1c(Cl)c(Sc2cccc(C(O)=O)c2F)c2ccc(Cl)c(F)c12

InChI Key InChIKey=NMDFAQXLJQRHMS-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 555280   

TargetAutotaxin(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 555280BDBM555280(US11344533, Compound 1-13 | 3-((2,6-dichloro-7-flu...)
Affinity DataIC50: 5nMAssay Description:Inhibition of ATX (unknown origin) using LPC 16:0 as substrate pre-incubated with compound for 20 min followed by substrate addition and measured aft...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAutotaxin(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 555280BDBM555280(US11344533, Compound 1-13 | 3-((2,6-dichloro-7-flu...)
Affinity DataIC50: 5nMAssay Description:Inhibition of ATX (unknown origin) using LPC 16:0 as substrate assessed as choline release from LPC 16:0 preincubated for 20 mins followed by substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAutotaxin(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 555280BDBM555280(US11344533, Compound 1-13 | 3-((2,6-dichloro-7-flu...)
Affinity DataIC50: 6.80nMAssay Description:Inhibition of ATX in human Hep3B cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAutotaxin(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 555280BDBM555280(US11344533, Compound 1-13 | 3-((2,6-dichloro-7-flu...)
Affinity DataIC50: 500nMAssay Description:ATX activity is assayed in concentrated conditioned media from Hep3B human hepatocellular carcinoma cells by measuring the amount of choline released...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2022
Entry Details
US Patent