BDBM50285777 CHEMBL4165749

SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2CNC(=O)c1ccc2[nH]nnc2c1)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=ZDOBSAPHUUUOHX-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50285777   

TargetAutotaxin(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM50285777(CHEMBL4165749 | BI-2545 (19))
Affinity DataIC50: 2.20nMAssay Description:5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2), 1 mM MgCl2 0.14 mM NaCl, and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2025
Entry Details
US Patent

TargetAutotaxin(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM50285777(CHEMBL4165749 | BI-2545 (19))
Affinity DataIC50: 2.20nMAssay Description:Inhibition of human ATXMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/15/2020
Entry Details Article
PubMed
TargetAutotaxin(Rat)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50285777(CHEMBL4165749 | BI-2545 (19))
Affinity DataIC50: 3.40nMAssay Description:Inhibition of recombinant rat ATX using LPC 18:1 as substrate after 2 hrs by rapidfire/MS-based analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/15/2020
Entry Details Article
PubMed
TargetAutotaxin(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM50285777(CHEMBL4165749 | BI-2545 (19))
Affinity DataIC50: 29nMAssay Description:Inhibition of ATX in human whole bloodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/15/2020
Entry Details Article
PubMed
TargetAutotaxin(Rat)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50285777(CHEMBL4165749 | BI-2545 (19))
Affinity DataIC50: 96nMAssay Description:Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/15/2020
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50285777(CHEMBL4165749 | BI-2545 (19))
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/15/2020
Entry Details Article
PubMed