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BDBM87222 4-chloranyl-N-[(2S)-1-[4-(5-fluoranyl-2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide;2,2,2-tris(fluoranyl)ethanoic acid::4-chloro-N-[(1S)-2-[4-(5-fluoro-2-keto-3H-benzimidazol-1-yl)piperidino]-1-methyl-ethyl]benzamide;2,2,2-trifluoroacetic acid::4-chloro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]propan-2-yl]benzamide;2,2,2-trifluoroacetic acid::4-chloro-N-[(2S)-1-[4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide;2,2,2-trifluoroacetic acid::VU0359563-1::cid_53470201

SMILES: C[C@@H](CN1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O)NC(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=JXQVDGTUPQYPNH-AWEZNQCLSA-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 = 87222   
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))
BDBM87222
PNG
(4-chloranyl-N-[(2S)-1-[4-(5-fluoranyl-2-oxidanylid...)
Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClFN4O2/c1-14(25-21(29)15-2-4-16(23)5-3-15)13-27-10-8-18(9-11-27)28-20-7-6-17(24)12-19(20)26-22(28)30/h2-7,12,14,18H,8-11,13H2,1H3,(H,25,29)(H,26,30)/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7n/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))
BDBM87222
PNG
(4-chloranyl-N-[(2S)-1-[4-(5-fluoranyl-2-oxidanylid...)
Show SMILES C[C@@H](CN1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClFN4O2/c1-14(25-21(29)15-2-4-16(23)5-3-15)13-27-10-8-18(9-11-27)28-20-7-6-17(24)12-19(20)26-22(28)30/h2-7,12,14,18H,8-11,13H2,1H3,(H,25,29)(H,26,30)/t14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.04E+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/Q21R6P4V
More data for this
Ligand-Target Pair