BDBM457113 US10738053, Example 4.00::US10738053, Example 4.01::US10738053, Example 4.02::US10738053, Example 4.03::US10738053, Example 5.00::US10738053, Example 5.01::US10738053, Example 5.02::US10738053, Example 5.03

SMILES C[C@]12CN(C[C@@H]1CN(C2)C(=O)OCc3ccc(cc3)OC(F)(F)F)C(=O)c4ccc(cc4)S(=O)(=O)N

InChI Key InChIKey=BGHGKELMYMNCFY-UHFFFAOYSA-N

Data  16 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 457113   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM457113(US10738053, Example 4.00 | US10738053, Example 4.0...)
Affinity DataIC50: 6nMAssay Description:Human ATX: Assay working solutions were made as follows: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
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TargetCarbonic anhydrase 2(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM457113(US10738053, Example 4.00 | US10738053, Example 4.0...)
Affinity DataIC50: 95nMAssay Description:CA-II: Assay working solutions were made as follows:Assay buffer: 50 mM MOPS, 33 mM Na2SO4, 1 mM EDTA, 0.5 mg/ml BSA, pH 7.5; Enzyme solution: hCA-II...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM457113(US10738053, Example 4.00 | US10738053, Example 4.0...)
Affinity DataIC50: 13nMAssay Description:Human ATX: Assay working solutions were made as follows: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent

TargetCarbonic anhydrase 2(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM457113(US10738053, Example 4.00 | US10738053, Example 4.0...)
Affinity DataIC50: 18nMAssay Description:CA-II: Assay working solutions were made as follows:Assay buffer: 50 mM MOPS, 33 mM Na2SO4, 1 mM EDTA, 0.5 mg/ml BSA, pH 7.5; Enzyme solution: hCA-II...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM457113(US10738053, Example 4.00 | US10738053, Example 4.0...)
Affinity DataIC50: 8nMAssay Description:Human ATX: Assay working solutions were made as follows: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent

TargetCarbonic anhydrase 2(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM457113(US10738053, Example 4.00 | US10738053, Example 4.0...)
Affinity DataIC50: 10nMAssay Description:CA-II: Assay working solutions were made as follows:Assay buffer: 50 mM MOPS, 33 mM Na2SO4, 1 mM EDTA, 0.5 mg/ml BSA, pH 7.5; Enzyme solution: hCA-II...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM457113(US10738053, Example 4.00 | US10738053, Example 4.0...)
Affinity DataIC50: 11nMAssay Description:Human ATX: Assay working solutions were made as follows: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent

TargetCarbonic anhydrase 2(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM457113(US10738053, Example 4.00 | US10738053, Example 4.0...)
Affinity DataIC50: 13nMAssay Description:CA-II: Assay working solutions were made as follows:Assay buffer: 50 mM MOPS, 33 mM Na2SO4, 1 mM EDTA, 0.5 mg/ml BSA, pH 7.5; Enzyme solution: hCA-II...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM457113(US10738053, Example 4.00 | US10738053, Example 4.0...)
Affinity DataIC50: 7nMAssay Description:Human ATX: Assay working solutions were made as follows: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent

TargetCarbonic anhydrase 2(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM457113(US10738053, Example 4.00 | US10738053, Example 4.0...)
Affinity DataIC50: 38nMAssay Description:CA-II: Assay working solutions were made as follows:Assay buffer: 50 mM MOPS, 33 mM Na2SO4, 1 mM EDTA, 0.5 mg/ml BSA, pH 7.5; Enzyme solution: hCA-II...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM457113(US10738053, Example 4.00 | US10738053, Example 4.0...)
Affinity DataIC50: 6nMAssay Description:Human ATX: Assay working solutions were made as follows: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent

TargetCarbonic anhydrase 2(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM457113(US10738053, Example 4.00 | US10738053, Example 4.0...)
Affinity DataIC50: 27nMAssay Description:CA-II: Assay working solutions were made as follows:Assay buffer: 50 mM MOPS, 33 mM Na2SO4, 1 mM EDTA, 0.5 mg/ml BSA, pH 7.5; Enzyme solution: hCA-II...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM457113(US10738053, Example 4.00 | US10738053, Example 4.0...)
Affinity DataIC50: 4nMAssay Description:Human ATX: Assay working solutions were made as follows: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent

TargetCarbonic anhydrase 2(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM457113(US10738053, Example 4.00 | US10738053, Example 4.0...)
Affinity DataIC50: 15nMAssay Description:CA-II: Assay working solutions were made as follows:Assay buffer: 50 mM MOPS, 33 mM Na2SO4, 1 mM EDTA, 0.5 mg/ml BSA, pH 7.5; Enzyme solution: hCA-II...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM457113(US10738053, Example 4.00 | US10738053, Example 4.0...)
Affinity DataIC50: 13nMAssay Description:Human ATX: Assay working solutions were made as follows: Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent

TargetCarbonic anhydrase 2(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM457113(US10738053, Example 4.00 | US10738053, Example 4.0...)
Affinity DataIC50: 20nMAssay Description:CA-II: Assay working solutions were made as follows:Assay buffer: 50 mM MOPS, 33 mM Na2SO4, 1 mM EDTA, 0.5 mg/ml BSA, pH 7.5; Enzyme solution: hCA-II...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2021
Entry Details
Go to US Patent