BindingDB logo
myBDB logout

BDBM42046 2-(1H-benzimidazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]ethanone::2-(1H-benzimidazol-2-ylthio)-1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]ethanone::2-(1H-benzimidazol-2-ylthio)-1-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]ethanone::MLS000565697::SMR000152774::cid_3918052

SMILES: Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1CC1CCCO1

InChI Key: InChIKey=WFOQUMSMZJAUFC-UHFFFAOYSA-N

Data: 4 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 5 hits for monomerid = 42046   
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
Galanin receptor 2


(Homo sapiens (Human))
BDBM42046
PNG
(2-(1H-benzimidazol-2-ylsulfanyl)-1-[2,5-dimethyl-1...)
Show SMILES Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1CC1CCCO1
Show InChI InChI=1S/C20H23N3O2S/c1-13-10-16(14(2)23(13)11-15-6-5-9-25-15)19(24)12-26-20-21-17-7-3-4-8-18(17)22-20/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>4.20E+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 Florida Research Institute, TSRI Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2D21W05
More data for this
Ligand-Target Pair
Galanin receptor 2


(Homo sapiens (Human))
BDBM42046
PNG
(2-(1H-benzimidazol-2-ylsulfanyl)-1-[2,5-dimethyl-1...)
Show SMILES Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1CC1CCCO1
Show InChI InChI=1S/C20H23N3O2S/c1-13-10-16(14(2)23(13)11-15-6-5-9-25-15)19(24)12-26-20-21-17-7-3-4-8-18(17)22-20/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>4.20E+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 Provid...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2W094B7
More data for this
Ligand-Target Pair
matrix metalloproteinase 1


(Homo sapiens (Human))
BDBM42046
PNG
(2-(1H-benzimidazol-2-ylsulfanyl)-1-[2,5-dimethyl-1...)
Show SMILES Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1CC1CCCO1
Show InChI InChI=1S/C20H23N3O2S/c1-13-10-16(14(2)23(13)11-15-6-5-9-25-15)19(24)12-26-20-21-17-7-3-4-8-18(17)22-20/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3,(H,21,22)
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.86E+3n/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2154FGT
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM42046
PNG
(2-(1H-benzimidazol-2-ylsulfanyl)-1-[2,5-dimethyl-1...)
Show SMILES Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1CC1CCCO1
Show InChI InChI=1S/C20H23N3O2S/c1-13-10-16(14(2)23(13)11-15-6-5-9-25-15)19(24)12-26-20-21-17-7-3-4-8-18(17)22-20/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42046
PNG
(2-(1H-benzimidazol-2-ylsulfanyl)-1-[2,5-dimethyl-1...)
Show SMILES Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1CC1CCCO1
Show InChI InChI=1S/C20H23N3O2S/c1-13-10-16(14(2)23(13)11-15-6-5-9-25-15)19(24)12-26-20-21-17-7-3-4-8-18(17)22-20/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

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