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BDBM87158 N-[(1S)-2-[1-(3,4-difluorophenyl)-4-keto-1,3,8-triazaspiro[4.5]decan-8-yl]-1-methyl-ethyl]-5-fluoro-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid::N-[(2S)-1-[1-(3,4-difluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]-5-fluoro-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid::N-[(2S)-1-[1-[3,4-bis(fluoranyl)phenyl]-4-oxidanylidene-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl]-5-fluoranyl-1H-indole-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid::VU0404359-1::cid_53469960

SMILES: C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccc(F)c(F)c1)NC(=O)c1cc2cc(F)ccc2[nH]1

InChI Key: InChIKey=HWHBSTPKWDIKIG-HNNXBMFYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 87158   
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))
BDBM87158
PNG
(N-[(1S)-2-[1-(3,4-difluorophenyl)-4-keto-1,3,8-tri...)
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccc(F)c(F)c1)NC(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C25H26F3N5O2/c1-15(30-23(34)22-11-16-10-17(26)2-5-21(16)31-22)13-32-8-6-25(7-9-32)24(35)29-14-33(25)18-3-4-19(27)20(28)12-18/h2-5,10-12,15,31H,6-9,13-14H2,1H3,(H,29,35)(H,30,34)/t15-/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))
BDBM87158
PNG
(N-[(1S)-2-[1-(3,4-difluorophenyl)-4-keto-1,3,8-tri...)
Show SMILES C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccc(F)c(F)c1)NC(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C25H26F3N5O2/c1-15(30-23(34)22-11-16-10-17(26)2-5-21(16)31-22)13-32-8-6-25(7-9-32)24(35)29-14-33(25)18-3-4-19(27)20(28)12-18/h2-5,10-12,15,31H,6-9,13-14H2,1H3,(H,29,35)(H,30,34)/t15-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 32n/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