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BDBM42454 4-(2,4-dichlorophenyl)-3-(2-furanylmethyl)-N-phenyl-2-thiazol-3-iumamine;chloride::4-(2,4-dichlorophenyl)-3-(furan-2-ylmethyl)-N-phenyl-1,3-thiazol-3-ium-2-amine;chloride::MLS001004807::SMR000348363::[4-(2,4-dichlorophenyl)-3-(2-furfuryl)thiazol-3-ium-2-yl]-phenyl-amine;chloride::cid_16196106

SMILES: Clc1ccc(-c2cs\c(=[NH+]/c3ccccc3)n2Cc2ccco2)c(Cl)c1

InChI Key: InChIKey=YVNOWAPCUVCGEL-ATJXCDBQSA-O

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 42454   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42454
PNG
(4-(2,4-dichlorophenyl)-3-(2-furanylmethyl)-N-pheny...)
Show SMILES Clc1ccc(-c2cs\c(=[NH+]/c3ccccc3)n2Cc2ccco2)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2N2OS/c21-14-8-9-17(18(22)11-14)19-13-26-20(23-15-5-2-1-3-6-15)24(19)12-16-7-4-10-25-16/h1-11,13H,12H2/p+1/b23-20-
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2ZS2TWK
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM42454
PNG
(4-(2,4-dichlorophenyl)-3-(2-furanylmethyl)-N-pheny...)
Show SMILES Clc1ccc(-c2cs\c(=[NH+]/c3ccccc3)n2Cc2ccco2)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2N2OS/c21-14-8-9-17(18(22)11-14)19-13-26-20(23-15-5-2-1-3-6-15)24(19)12-16-7-4-10-25-16/h1-11,13H,12H2/p+1/b23-20-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem
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n/an/an/an/a 2.27E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42454
PNG
(4-(2,4-dichlorophenyl)-3-(2-furanylmethyl)-N-pheny...)
Show SMILES Clc1ccc(-c2cs\c(=[NH+]/c3ccccc3)n2Cc2ccco2)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2N2OS/c21-14-8-9-17(18(22)11-14)19-13-26-20(23-15-5-2-1-3-6-15)24(19)12-16-7-4-10-25-16/h1-11,13H,12H2/p+1/b23-20-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>3.50E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V1235Z
More data for this
Ligand-Target Pair