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BDBM32805 (5-chloranylpyridin-3-yl) furan-2-carboxylate::(5-chloropyridin-3-yl) furan-2-carboxylate::2-furancarboxylic acid (5-chloro-3-pyridinyl) ester::5-chloro-3-pyridinyl 2-furoate::CHEMBL222840::MLS000594516::SMR000114552::cid_7230550::furan-2-carboxylic acid (5-chloro-3-pyridyl) ester

SMILES: Clc1cncc(OC(=O)c2ccco2)c1

InChI Key: InChIKey=DWJOEJDGHVXXEB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 32805   
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
Coagulation factor XI


(Homo sapiens (human))
BDBM32805
PNG
((5-chloranylpyridin-3-yl) furan-2-carboxylate | (5...)
Show SMILES Clc1cncc(OC(=O)c2ccco2)c1
Show InChI InChI=1S/C10H6ClNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 741n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2H993J6
More data for this
Ligand-Target Pair
Papain-like protease (PLpro)


(Human SARS coronavirus (SARS-CoV))
BDBM32805
PNG
((5-chloranylpyridin-3-yl) furan-2-carboxylate | (5...)
Show SMILES Clc1cncc(OC(=O)c2ccco2)c1
Show InChI InChI=1S/C10H6ClNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease


J Med Chem 50: 1850-64 (2007)


Article DOI: 10.1021/jm061425k
BindingDB Entry DOI: 10.7270/Q2RN37HR
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM32805
PNG
((5-chloranylpyridin-3-yl) furan-2-carboxylate | (5...)
Show SMILES Clc1cncc(OC(=O)c2ccco2)c1
Show InChI InChI=1S/C10H6ClNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 2.44E+3n/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))
BDBM32805
PNG
((5-chloranylpyridin-3-yl) furan-2-carboxylate | (5...)
Show SMILES Clc1cncc(OC(=O)c2ccco2)c1
Show InChI InChI=1S/C10H6ClNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 1.39E+3n/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