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SMILES: CCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1

InChI Key: InChIKey=UUVNYPCBBXOXBP-UHFFFAOYSA-N

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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 = 80871   
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 A2


(Homo sapiens (Human))
BDBM80871
PNG
(MLS000581956 | N-({[3-chloro-2-(1-piperidinyl)phen...)
Show SMILES CCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1
Show InChI InChI=1S/C15H20ClN3OS/c1-2-13(20)18-15(21)17-12-8-6-7-11(16)14(12)19-9-4-3-5-10-19/h6-8H,2-5,9-10H2,1H3,(H2,17,18,20,21)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.78E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM80871
PNG
(MLS000581956 | N-({[3-chloro-2-(1-piperidinyl)phen...)
Show SMILES CCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1
Show InChI InChI=1S/C15H20ClN3OS/c1-2-13(20)18-15(21)17-12-8-6-7-11(16)14(12)19-9-4-3-5-10-19/h6-8H,2-5,9-10H2,1H3,(H2,17,18,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.09E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair