BindingDB logo
myBDB logout

BDBM42438 (2Z)-3-ethyl-2-[[3-methyl-5-(2-methylphenyl)-1,3-thiazol-3-ium-2-yl]methylidene]-1,3-benzothiazole;iodide::(2Z)-3-ethyl-2-[[3-methyl-5-(2-methylphenyl)-2-thiazol-3-iumyl]methylidene]-1,3-benzothiazole;iodide::(2Z)-3-ethyl-2-[[3-methyl-5-(o-tolyl)thiazol-3-ium-2-yl]methylene]-1,3-benzothiazole;iodide::3-ethyl-2-{(Z)-[3-methyl-5-(2-methylphenyl)-1,3-thiazol-2(3H)-ylidene]methyl}-1,3-benzothiazol-3-ium::MLS000727848::SMR000306545::cid_16188793

SMILES: CCN1\C(Sc2ccccc12)=C\c1sc(c[n+]1C)-c1ccccc1C

InChI Key: InChIKey=OKJGYJKUYOPDRF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 42438   
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))
BDBM42438
PNG
((2Z)-3-ethyl-2-[[3-methyl-5-(2-methylphenyl)-1,3-t...)
Show SMILES CCN1\C(Sc2ccccc12)=C\c1sc(c[n+]1C)-c1ccccc1C
Show InChI InChI=1S/C21H21N2S2/c1-4-23-17-11-7-8-12-18(17)24-21(23)13-20-22(3)14-19(25-20)16-10-6-5-9-15(16)2/h5-14H,4H2,1-3H3/q+1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.98E+3n/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
Galanin receptor 3


(Homo sapiens (Human))
BDBM42438
PNG
((2Z)-3-ethyl-2-[[3-methyl-5-(2-methylphenyl)-1,3-t...)
Show SMILES CCN1\C(Sc2ccccc12)=C\c1sc(c[n+]1C)-c1ccccc1C
Show InChI InChI=1S/C21H21N2S2/c1-4-23-17-11-7-8-12-18(17)24-21(23)13-20-22(3)14-19(25-20)16-10-6-5-9-15(16)2/h5-14H,4H2,1-3H3/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 404n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42438
PNG
((2Z)-3-ethyl-2-[[3-methyl-5-(2-methylphenyl)-1,3-t...)
Show SMILES CCN1\C(Sc2ccccc12)=C\c1sc(c[n+]1C)-c1ccccc1C
Show InChI InChI=1S/C21H21N2S2/c1-4-23-17-11-7-8-12-18(17)24-21(23)13-20-22(3)14-19(25-20)16-10-6-5-9-15(16)2/h5-14H,4H2,1-3H3/q+1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.96E+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