BindingDB PrimarySearch

BDBM87123 3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxidanylidene-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;2,2,2-tris(fluoranyl)ethanoic acid::3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-keto-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid::3,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid::CHEMBL1907089::ML298 (4)::VU0462225-1::cid_53393915

SMILES: Fc1cccc(c1)N1CNC(=O)C11CCN(CCNC(=O)c2ccc(F)c(F)c2)CC1

InChI Key: InChIKey=XAPVAKKLQGLNOY-UHFFFAOYSA-N

Data: 16 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 87123
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Phospholipase D2 (PLD2) (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	355	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Specialized Chemistry Center Curated by PubChem BioAssay					Assay Description Phospholipase D (PLD) generates the lipid second messenger phosphatidic acid as part of a plethora of cellular functions. Phosphatidic acid (PtdOH) i...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q21R6P4V
					More data for this Ligand-Target Pair
Phospholipase D2 (PLD2) (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	355	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of PLD2 (unknown origin)				Bioorg Med Chem Lett 28: 3670-3673 (2018) Article DOI: 10.1016/j.bmcl.2018.10.033
Vanderbilt University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Phospholipase D (PLD) (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
Vanderbilt University					More data for this Ligand-Target Pair
Phospholipase D2 (PLD2) (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	355	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University					Assay Description Cells were seeded into 12-well tissue culture plates to reach 90% confluence at the time of assay. All cell types, aside from the HEK293-gfpPLD2 cell...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
Vanderbilt University					More data for this Ligand-Target Pair
Phospholipase D (PldA) (Pseudomonas aeruginosa (g-Proteobacteria))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
Vanderbilt University					Assay Description In brief, 6 nM purified PldA was incubated with liposomes containing 90 μM 1,2-dioleoyl-sn-glycero-3-phospho-(1′-rac-glycerol), 10 μM...				ACS Chem Biol 10: 421-32 (2015) Article DOI: 10.1021/cb500828m BindingDB Entry DOI: 10.7270/Q2H70DK8
Vanderbilt University					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
Vanderbilt University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
Vanderbilt University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
Vanderbilt University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
Vanderbilt University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
Vanderbilt University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Phospholipase D2 (PLD2) (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	355	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of GFP-tagged PLD2 in human HEK293 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition ...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
Vanderbilt University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Phospholipase D (PLD) (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of PLD1 in human Calu-1 cells assessed as deuterated 1-butanol incorporation pretreated for 5 mins prior to substrate addition measured af...				J Med Chem 56: 2695-9 (2013) Article DOI: 10.1021/jm301782e BindingDB Entry DOI: 10.7270/Q2RJ4KT8
Vanderbilt University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin L using Z-R-R-AMC as substrate preincubated with compound for 5 mins measured after 20 mins by fluorescence analy...				ACS Med Chem Lett 3: 450-453 (2012) Article DOI: 10.1021/ml200299g BindingDB Entry DOI: 10.7270/Q2QC04JR
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using Z-R-R-AMC as substrate preincubated with compound for 5 mins measured after 20 mins by fluorescence analy...				ACS Med Chem Lett 3: 450-453 (2012) Article DOI: 10.1021/ml200299g BindingDB Entry DOI: 10.7270/Q2QC04JR
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Phospholipase D (PLD) (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of PLD1 (unknown origin)				Bioorg Med Chem Lett 28: 3670-3673 (2018) Article DOI: 10.1016/j.bmcl.2018.10.033
Vanderbilt University Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Phospholipase D (PLD) (Homo sapiens (Human))	BDBM87123 (3,4-bis(fluoranyl)-N-[2-[1-(3-fluorophenyl)-4-oxid...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt Specialized Chemistry Center Curated by PubChem BioAssay					Assay Description Phospholipase D (PLD) generates the lipid second messenger phosphatidic acid as part of a plethora of cellular functions. Phosphatidic acid (PtdOH) i...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CNK
					More data for this Ligand-Target Pair