BDBM43868 3-[2-[4-[bis(4-fluorophenyl)methylene]piperidino]ethyl]-2-thioxo-1H-quinazolin-4-one::3-[2-[4-[bis(4-fluorophenyl)methylidene]-1-piperidinyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one::3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one::DIACYLGLYCEROL KINASE INHIBITOR II::MLS000069510::R 59949::SMR000058550::cid_657356

SMILES Fc1ccc(cc1)C(=C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1)c1ccc(F)cc1

InChI Key InChIKey=ZCNBZFRECRPCKU-UHFFFAOYSA-N

Data  12 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 43868   

TargetDiacylglycerol kinase alpha(Human)
University of Piemonte Orientale

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 43868BDBM43868(SMR000058550 | MLS000069510 | 3-[2-[4-[bis(4-fluor...)
Affinity DataIC50: 300nMAssay Description:Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetDiacylglycerol kinase alpha(Human)
University of Piemonte Orientale

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 43868BDBM43868(SMR000058550 | MLS000069510 | 3-[2-[4-[bis(4-fluor...)
Affinity DataIC50: 300nMAssay Description:Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated for 1 min followed by OAG addition and measured after 8 mins in pres...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetDiacylglycerol kinase gamma(Human)
Bristol Myers Squibb Research and Early Development

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 43868BDBM43868(SMR000058550 | MLS000069510 | 3-[2-[4-[bis(4-fluor...)
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of human DGK gamma using 1, 2-Dilauroyl-sn-glycerol as substrate by ADP-Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetDiacylglycerol kinase alpha(Human)
University of Piemonte Orientale

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 43868BDBM43868(SMR000058550 | MLS000069510 | 3-[2-[4-[bis(4-fluor...)
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of human DGK alpha using 1, 2-Dilauroyl-sn-glycerol as substrate by ADP-Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 43868BDBM43868(SMR000058550 | MLS000069510 | 3-[2-[4-[bis(4-fluor...)
Affinity DataEC50:  8.80E+3nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
TargetDiacylglycerol kinase zeta(Human)
Bristol Myers Squibb Research and Early Development

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 43868BDBM43868(SMR000058550 | MLS000069510 | 3-[2-[4-[bis(4-fluor...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human DGK zeta using 1, 2-Dilauroyl-sn-glycerol as substrate by ADP-Glo kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetDiacylglycerol kinase iota(Homo sapiens)
Bristol Myers Squibb Research and Early Development

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 43868BDBM43868(SMR000058550 | MLS000069510 | 3-[2-[4-[bis(4-fluor...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human DGK iota using 1, 2-Dilauroyl-sn-glycerol as substrate by ADP-Glo kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetDiacylglycerol kinase beta(Human)
Bristol Myers Squibb Research and Early Development

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 43868BDBM43868(SMR000058550 | MLS000069510 | 3-[2-[4-[bis(4-fluor...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human DGK beta using 1, 2-Dilauroyl-sn-glycerol as substrate by ADP-Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetDiacylglycerol kinase alpha(Human)
University of Piemonte Orientale

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 43868BDBM43868(SMR000058550 | MLS000069510 | 3-[2-[4-[bis(4-fluor...)
Affinity DataIC50: 1.06E+4nMAssay Description:Inhibition of OST-tagged DGKalpha (unknown origin) expressed in MDCK cell homogenates using DAG as substrate measured after 5 mins in presence of [ga...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetDiacylglycerol kinase alpha(Human)
University of Piemonte Orientale

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 43868BDBM43868(SMR000058550 | MLS000069510 | 3-[2-[4-[bis(4-fluor...)
Affinity DataIC50: 1.06E+4nMAssay Description:Inhibition of OST-tagged DGKalpha (unknown origin) expressed in MDCK cell homogenates using DAG as substrate measured after 5 mins in presence of [ga...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetMitochondrial import inner membrane translocase subunit TIM10(Baker's yeast)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 43868BDBM43868(SMR000058550 | MLS000069510 | 3-[2-[4-[bis(4-fluor...)
Affinity DataIC50: 1.27E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 43868BDBM43868(SMR000058550 | MLS000069510 | 3-[2-[4-[bis(4-fluor...)
Affinity DataEC50:  1.33E+4nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/25/2011
Entry Details
PCBioAssay
TargetDiacylglycerol kinase alpha(Pig)
University of Piemonte Orientale

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 43868BDBM43868(SMR000058550 | MLS000069510 | 3-[2-[4-[bis(4-fluor...)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of pig FLAG3-tagged DGKalpha expressed in African green monkey COS7 cells using 1,2-dioleoyl-sn-glycerol as substrate measured after 30 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetDiacylglycerol kinase alpha(Pig)
University of Piemonte Orientale

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 43868BDBM43868(SMR000058550 | MLS000069510 | 3-[2-[4-[bis(4-fluor...)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of pig FLAG3-tagged DGKalpha expressed in African green monkey COS7 cells using 1,2-dioleoyl-sn-glycerol as substrate measured after 30 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 43868BDBM43868(SMR000058550 | MLS000069510 | 3-[2-[4-[bis(4-fluor...)
Affinity DataEC50:  2.55E+4nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetSolute carrier family 12 member 5(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 43868BDBM43868(SMR000058550 | MLS000069510 | 3-[2-[4-[bis(4-fluor...)
Affinity DataEC50:  1.81E+5nMAssay Description:Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay