BDBM556559 US11352330, Example A30

SMILES Cc1nc2cc(c(cc2s1)C3CC3)OCC4=NNC(=O)N4C

InChI Key InChIKey=WLSMQRKHZPITKA-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 556559   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 556559BDBM556559(US11352330, Example A30)
Affinity DataIC50: 9nMAssay Description: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-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/10/2022
Entry Details
US Patent
PDB3D3D Structure (crystal)