BDBM207991 ML348

SMILES c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)Nc3cc(ccc3Cl)C(F)(F)F

InChI Key InChIKey=OXKNHBBDOIMFFQ-UHFFFAOYSA-N

Data  17 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 207991   

TargetAcyl-protein thioesterase 1(Human)
University of Michigan

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi:  280nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/9/2017
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
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TargetAcyl-protein thioesterase 1(Human)
University of Michigan

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi:  300nMAssay Description:Inhibition of APT1 (unknown origin) by FluPol-ABPP assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
9/2/2020
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
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TargetAcyl-protein thioesterase 1 [L176M](Human)
University of Michigan

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi:  340nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/9/2017
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
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TargetAcyl-protein thioesterase 1 [Q83P](Human)
University of Michigan

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi:  370nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/9/2017
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetAcyl-protein thioesterase 2 [L78I,A85S,P86Q,H152R,R153A,A154S](Human)
University of Michigan

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi:  430nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/9/2017
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetAcyl-protein thioesterase 1 [I75L,S82A](Human)
University of Michigan

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi:  1.20E+3nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/9/2017
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetAcyl-protein thioesterase 1 [I75L](Human)
University of Michigan

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi:  2.20E+3nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/9/2017
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetAcyl-protein thioesterase 2 [L78I,A85S,P86Q](Human)
University of Michigan

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi:  3.40E+3nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/9/2017
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetAcyl-protein thioesterase 2 [L78I](Human)
University of Michigan

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi:  5.80E+3nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/9/2017
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetAcyl-protein thioesterase 2 [L78I,A85S](Human)
University of Michigan

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi:  6.20E+3nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/9/2017
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetAcyl-protein thioesterase 2(Human)
University of Michigan

Curated by ChEMBL

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of APT2 (unknown origin) by FluPol-ABPP assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
9/2/2020
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetAcyl-protein thioesterase 2 [H152R](Human)
University of Michigan

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi: >1.00E+4nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/9/2017
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetAcyl-protein thioesterase 2 [P86Q](Human)
University of Michigan

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi: >1.00E+4nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/9/2017
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetAcyl-protein thioesterase 2 [M178L](Human)
University of Michigan

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi: >1.00E+4nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/9/2017
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetAcyl-protein thioesterase 2(Human)
University of Michigan

Curated by ChEMBL

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi: >1.00E+4nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/9/2017
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetAcyl-protein thioesterase 1 [I75L,S82A,Q83P,R149H,A150R,S151A](Human)
University of Michigan

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi: >1.00E+4nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/9/2017
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetAcyl-protein thioesterase 1 [I75L,S82A,Q83P](Human)
University of Michigan

LigandBDBM207991(ML348)Copy SMILESCopy InChI

Affinity DataKi: >1.00E+4nMpH: 6.5Assay Description:Enzymes were diluted to 10 nM in PBS pH 6.5 (adjusted with sodium acetate) supplemented with 0.1 g/L pluronic F127 (Sigma). Varying concentrations of...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchasePC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/9/2017
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL