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BDBM87227 3,4-bis(fluoranyl)-N-[(2S)-1-[4-(6-fluoranyl-2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide;2,2,2-tris(fluoranyl)ethanoic acid::3,4-difluoro-N-[(1S)-2-[4-(6-fluoro-2-keto-3H-benzimidazol-1-yl)piperidino]-1-methyl-ethyl]benzamide;2,2,2-trifluoroacetic acid::3,4-difluoro-N-[(2S)-1-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]propan-2-yl]benzamide;2,2,2-trifluoroacetic acid::3,4-difluoro-N-[(2S)-1-[4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide;2,2,2-trifluoroacetic acid::VU0359568-1::cid_53470209

SMILES: C[C@@H](CN1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O)NC(=O)c1ccc(F)c(F)c1

InChI Key: InChIKey=HPTPLUVUBNHEQY-ZDUSSCGKSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 87227   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM87227
PNG
(3,4-bis(fluoranyl)-N-[(2S)-1-[4-(6-fluoranyl-2-oxi...)
Show SMILES C[C@@H](CN1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O)NC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C22H23F3N4O2/c1-13(26-21(30)14-2-4-17(24)18(25)10-14)12-28-8-6-16(7-9-28)29-20-11-15(23)3-5-19(20)27-22(29)31/h2-5,10-11,13,16H,6-9,12H2,1H3,(H,26,30)(H,27,31)/t13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5n/an/an/an/an/an/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
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM87227
PNG
(3,4-bis(fluoranyl)-N-[(2S)-1-[4-(6-fluoranyl-2-oxi...)
Show SMILES C[C@@H](CN1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O)NC(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C22H23F3N4O2/c1-13(26-21(30)14-2-4-17(24)18(25)10-14)12-28-8-6-16(7-9-28)29-20-11-15(23)3-5-19(20)27-22(29)31/h2-5,10-11,13,16H,6-9,12H2,1H3,(H,26,30)(H,27,31)/t13-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 315n/an/an/an/an/an/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