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BDBM43912 2-(1-Methyl-1H-benzoimidazol-2-ylmethylsulfanyl)-benzothiazole::2-[(1-methyl-2-benzimidazolyl)methylthio]-1,3-benzothiazole::2-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-1,3-benzothiazole::2-[(1-methylbenzimidazol-2-yl)methylthio]-1,3-benzothiazole::MLS000030629::SMR000010207::cid_647349

SMILES: Cn1c(CSc2nc3ccccc3s2)nc2ccccc12

InChI Key: InChIKey=HKWHBXMJRSNVSG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 43912   
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
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43912
PNG
(2-(1-Methyl-1H-benzoimidazol-2-ylmethylsulfanyl)-b...)
Show SMILES Cn1c(CSc2nc3ccccc3s2)nc2ccccc12
Show InChI InChI=1S/C16H13N3S2/c1-19-13-8-4-2-6-11(13)17-15(19)10-20-16-18-12-7-3-5-9-14(12)21-16/h2-9H,10H2,1H3
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PCBioAssay
n/an/an/an/a 1.48E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TX3CSC
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM43912
PNG
(2-(1-Methyl-1H-benzoimidazol-2-ylmethylsulfanyl)-b...)
Show SMILES Cn1c(CSc2nc3ccccc3s2)nc2ccccc12
Show InChI InChI=1S/C16H13N3S2/c1-19-13-8-4-2-6-11(13)17-15(19)10-20-16-18-12-7-3-5-9-14(12)21-16/h2-9H,10H2,1H3
UniProtKB/SwissProt

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n/an/an/an/a 1.74E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B856KG
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43912
PNG
(2-(1-Methyl-1H-benzoimidazol-2-ylmethylsulfanyl)-b...)
Show SMILES Cn1c(CSc2nc3ccccc3s2)nc2ccccc12
Show InChI InChI=1S/C16H13N3S2/c1-19-13-8-4-2-6-11(13)17-15(19)10-20-16-18-12-7-3-5-9-14(12)21-16/h2-9H,10H2,1H3
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n/an/an/an/a 4.39E+5n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM43912
PNG
(2-(1-Methyl-1H-benzoimidazol-2-ylmethylsulfanyl)-b...)
Show SMILES Cn1c(CSc2nc3ccccc3s2)nc2ccccc12
Show InChI InChI=1S/C16H13N3S2/c1-19-13-8-4-2-6-11(13)17-15(19)10-20-16-18-12-7-3-5-9-14(12)21-16/h2-9H,10H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 1.24E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Q52N1X
More data for this
Ligand-Target Pair