BDBM528754 US11198681, Compound I-78

SMILES CO[C@]1(C)C[C@H](Cn2c(nc3cc(cc(F)c23)C(=O)N2C[C@H]3CC[C@@H]2[C@@H]3N)-c2ccc(C#N)n2CC2CC2)C1

InChI Key InChIKey=HVLSVVNXGQWBCK-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 528754   

TargetProtein-arginine deiminase type-4(Human)
Padlock Therapeutics

US Patent
LigandPNGBDBM528754(US11198681, Compound I-78)
Affinity DataIC50: 1.00E+3nMAssay Description:Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2022
Entry Details
Go to US Patent

TargetProtein-arginine deiminase type-4(Human)
Padlock Therapeutics

US Patent
LigandPNGBDBM528754(US11198681, Compound I-78)
Affinity DataIC50: 3.00E+3nMAssay Description:Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2022
Entry Details
Go to US Patent

TargetProtein-arginine deiminase type-4(Mouse)
Padlock Therapeutics

US Patent
LigandPNGBDBM528754(US11198681, Compound I-78)
Affinity DataIC50: 3.00E+3nMAssay Description:Compounds were solubilised in 100% DMSO to achieve 100 mM final compound concentration. Compound stock solutions were stored at RT. A series of dilut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2022
Entry Details
Go to US Patent