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BDBM87159 N-[(1S)-2-[1-(3,4-difluorophenyl)-4-keto-1,3,8-triazaspiro[4.5]decan-8-yl]-1-methyl-ethyl]-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]-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]-1H-indole-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid::VU0404360-1::cid_53469962

SMILES: C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1ccc(F)c(F)c1)NC(=O)c1cc2ccccc2[nH]1

InChI Key: InChIKey=HUUWWQMWJIZOTF-INIZCTEOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 87159   
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))
BDBM87159
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)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H27F2N5O2/c1-16(29-23(33)22-12-17-4-2-3-5-21(17)30-22)14-31-10-8-25(9-11-31)24(34)28-15-32(25)18-6-7-19(26)20(27)13-18/h2-7,12-13,16,30H,8-11,14-15H2,1H3,(H,28,34)(H,29,33)/t16-/m0/s1
PDB

KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3n/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))
BDBM87159
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)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H27F2N5O2/c1-16(29-23(33)22-12-17-4-2-3-5-21(17)30-22)14-31-10-8-25(9-11-31)24(34)28-15-32(25)18-6-7-19(26)20(27)13-18/h2-7,12-13,16,30H,8-11,14-15H2,1H3,(H,28,34)(H,29,33)/t16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 34n/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