BDBM50612991 CHEMBL5279102

SMILES CC(C)C[C@@H](NC(=O)C1(CCCCC1)C(F)(F)F)C(=O)Nc1nnc(Cc2ccc(cc2)C#N)s1

InChI Key InChIKey=LXRBPWHQMGKMRT-UHFFFAOYSA-N

Data  11 IC50  1 Kd  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50612991   

LigandPNGBDBM50612991(CHEMBL5279102)
Affinity DataIC50: 6nMAssay Description:Inhibition of human full length USP21 using Btn-Ahx-PNIRFLD-K(Ubi)-LPQQT-GD-amide as substrate preincubated for 15 to 20 mins followed by substrate a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
LigandPNGBDBM50612991(CHEMBL5279102)
Affinity DataIC50: 2nMAssay Description:Inhibition of human USP21 using ubiquitin rhodamine 110 110 as substrate preincubated for 15 to 20 mins followed by enzyme addition and measured afte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
LigandPNGBDBM50612991(CHEMBL5279102)
Affinity DataKd:  2.20nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged USP21 (209 to 563 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissoci...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
LigandPNGBDBM50612991(CHEMBL5279102)
Affinity DataEC50:  0.0950nMAssay Description:Binding affinity to C-terminally NanoLuc HiBiT-tagged USP21 transfected in human HEK293T cells ssessed as thermal stability at 49 degreeC incubated f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
LigandPNGBDBM50612991(CHEMBL5279102)
Affinity DataEC50:  0.0166nMAssay Description:Inhibition of full-length human USP21 transfected in human HEK293T cells co-transfected with NF-kappaB reporter firefly luciferase plasmid assessed a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetAcetylcholinesterase(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50612991(CHEMBL5279102)
Affinity DataIC50: 7.61E+3nMAssay Description:Inhibition of acetyl cholinesterase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetMAP kinase-activated protein kinase 5(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50612991(CHEMBL5279102)
Affinity DataIC50: 8.60E+3nMAssay Description:Inhibition of human PRAKMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
LigandPNGBDBM50612991(CHEMBL5279102)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human TrkAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50612991(CHEMBL5279102)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetCytochrome P450 2C8(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50612991(CHEMBL5279102)
Affinity DataIC50: 4.70E+3nMAssay Description:Inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50612991(CHEMBL5279102)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50612991(CHEMBL5279102)
Affinity DataIC50: 4.60E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50612991(CHEMBL5279102)
Affinity DataIC50: 400nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50612991(CHEMBL5279102)
Affinity DataIC50: 400nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubation of enzyme in the presence of NADP for 30 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMed