BDBM207991 ML348
SMILES: FC(F)(F)c1ccc(Cl)c(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)c1
InChI Key: InChIKey=OXKNHBBDOIMFFQ-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acyl-protein thioesterase 1 (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | 280 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
University of Michigan | Assay 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... | ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acyl-protein thioesterase 1 (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Inhibition of APT1 (unknown origin) by FluPol-ABPP assay | Medchemcomm 5: 268-276 (2014) Article DOI: 10.1039/c3md00333g BindingDB Entry DOI: 10.7270/Q2TX3JBM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acyl-protein thioesterase 1 (APT1 L176M) (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | 340 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
University of Michigan | Assay 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... | ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acyl-protein thioesterase 1 (APT1 Q83P) (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | 370 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
University of Michigan | Assay 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... | ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acyl-protein thioesterase 2 (APT2 L78I/A85S/P86Q/H152R/R153A/A154S) (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | 430 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
University of Michigan | Assay 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... | ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-protein thioesterase 1 (APT1 I75L/S82A) (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
University of Michigan | Assay 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... | ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acyl-protein thioesterase 1 (APT1 I75L) (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
University of Michigan | Assay 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... | ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acyl-protein thioesterase 2 (APT2 L78I/A85S/P86Q) (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
University of Michigan | Assay 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... | ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-protein thioesterase 2 (APT2 L78I) (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
University of Michigan | Assay 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... | ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-protein thioesterase 2 (APT2 L78I/A85S) (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
University of Michigan | Assay 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... | ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-protein thioesterase 2 (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Inhibition of APT2 (unknown origin) by FluPol-ABPP assay | Medchemcomm 5: 268-276 (2014) Article DOI: 10.1039/c3md00333g BindingDB Entry DOI: 10.7270/Q2TX3JBM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-protein thioesterase 2 (APT2 H152R) (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
University of Michigan | Assay 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... | ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-protein thioesterase 2 (APT2 M178L) (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
University of Michigan | Assay 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... | ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-protein thioesterase 2 (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
University of Michigan | Assay 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... | ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-protein thioesterase 1 (APT1 I75L/S82A/Q83P/R149H/A150R/S151A) (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
University of Michigan | Assay 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... | ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acyl-protein thioesterase 1 (APT1 I75L/S82A/Q83P) (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
University of Michigan | Assay 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... | ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acyl-protein thioesterase 2 (APT2 P86Q) (Homo sapiens (Human)) | BDBM207991 (ML348) | PDB GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 6.5 | n/a |
University of Michigan | Assay 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... | ACS Chem Biol 11: 3374-3382 (2016) Article DOI: 10.1021/acschembio.6b00720 BindingDB Entry DOI: 10.7270/Q29K492D | |||||||||||
More data for this Ligand-Target Pair |