BDBM426480 US10526329, Compound 116::US11072611, Compound 116

SMILES CCc1nc2ccc(cn2c1N(C)c1nc(cs1)-c1ccc(F)cc1)C1CCN(CC(=O)N2CC[C@@H](C2)C#N)CC1

InChI Key InChIKey=QULNITYBVBSFDN-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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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 = 426480   

TargetAutotaxin(Human)
Galapagos

US Patent
LigandPNGBDBM426480(US10526329, Compound 116 | US11072611, Compound 11...)
Affinity DataIC50: 50nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/25/2020
Entry Details
US Patent

TargetAutotaxin(Human)
Galapagos

US Patent
LigandPNGBDBM426480(US10526329, Compound 116 | US11072611, Compound 11...)
Affinity DataIC50: 50nMAssay Description:TABLE VI: (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotaxin substrate FS-3 as substrate. FS-3 is a doubly l...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/7/2022
Entry Details
US Patent

TargetAutotaxin(Human)
Galapagos

US Patent
LigandPNGBDBM426480(US10526329, Compound 116 | US11072611, Compound 11...)
Affinity DataIC50: 300nMAssay Description:Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/25/2020
Entry Details
US Patent

TargetAutotaxin(Human)
Galapagos

US Patent
LigandPNGBDBM426480(US10526329, Compound 116 | US11072611, Compound 11...)
Affinity DataIC50: 300nMAssay Description:TABLE V: 5 μL of a dilution series of compound, starting from 20 μM highest concentration, 1/5 dilution, is added to the wells. hENPP2 is u...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/7/2022
Entry Details
US Patent