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BDBM87179 5-fluoranyl-N-[(2R)-1-(4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]-1H-indole-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid::5-fluoro-N-[(1R)-2-(4-keto-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-ethyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid::5-fluoro-N-[(2R)-1-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)propan-2-yl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid::VU0364735-1::cid_53470042

SMILES: C[C@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1

InChI Key: InChIKey=MWKBJPMDIRQKGV-QGZVFWFLSA-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 = 87179   
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))
BDBM87179
PNG
(5-fluoranyl-N-[(2R)-1-(4-oxidanylidene-1-phenyl-1,...)
Show SMILES C[C@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C25H28FN5O2/c1-17(28-23(32)22-14-18-13-19(26)7-8-21(18)29-22)15-30-11-9-25(10-12-30)24(33)27-16-31(25)20-5-3-2-4-6-20/h2-8,13-14,17,29H,9-12,15-16H2,1H3,(H,27,33)(H,28,32)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2n/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))
BDBM87179
PNG
(5-fluoranyl-N-[(2R)-1-(4-oxidanylidene-1-phenyl-1,...)
Show SMILES C[C@H](CN1CCC2(CC1)N(CNC2=O)c1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C25H28FN5O2/c1-17(28-23(32)22-14-18-13-19(26)7-8-21(18)29-22)15-30-11-9-25(10-12-30)24(33)27-16-31(25)20-5-3-2-4-6-20/h2-8,13-14,17,29H,9-12,15-16H2,1H3,(H,27,33)(H,28,32)/t17-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 23n/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