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BDBM45686 2-[(5Z)-4-keto-5-[(5-piperidino-2-furyl)methylene]-2-thioxo-thiazolidin-3-yl]acetic acid::2-[(5Z)-4-oxidanylidene-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid::2-[(5Z)-4-oxo-5-[(5-piperidin-1-ylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid::2-[(5Z)-4-oxo-5-[[5-(1-piperidinyl)-2-furanyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]acetic acid::MLS000779190::SMR000415883::cid_1837692::{4-Oxo-5-[1-(5-piperidin-1-yl-furan-2-yl)-meth-(Z)-ylidene]-2-thioxo-thiazolidin-3-yl}-acetic acid

SMILES: OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)N2CCCCC2)C1=O

InChI Key: InChIKey=SWDYMRUGEGFTAP-FLIBITNWSA-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 = 45686   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kallikrein 5


(Homo sapiens (Human))
BDBM45686
PNG
(2-[(5Z)-4-keto-5-[(5-piperidino-2-furyl)methylene]...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)N2CCCCC2)C1=O
Show InChI InChI=1S/C15H16N2O4S2/c18-13(19)9-17-14(20)11(23-15(17)22)8-10-4-5-12(21-10)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,18,19)/b11-8-
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GC8
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM45686
PNG
(2-[(5Z)-4-keto-5-[(5-piperidino-2-furyl)methylene]...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(o2)N2CCCCC2)C1=O
Show InChI InChI=1S/C15H16N2O4S2/c18-13(19)9-17-14(20)11(23-15(17)22)8-10-4-5-12(21-10)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,18,19)/b11-8-
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair