BDBM48981 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4,4,8-trimethyl-1-sulfanylidene-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone::2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone::2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-(4,4,8-trimethyl-1-sulfanylidene-5-dithiolo[3,4-c]quinolinyl)ethanone::2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-(4,4,8-trimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)ethanone::MLS000108154::SMR000104116::cid_1599104

SMILES Cc1ccc2N(C(=O)CSc3nncn3C)C(C)(C)c3ssc(=S)c3-c2c1

InChI Key InChIKey=HIFBDKHQIUFIBF-UHFFFAOYSA-N

Data  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 48981   

TargetD(1B) dopamine receptor(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM48981(2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4,4,8...)
Affinity DataEC50:  0.0101nMAssay Description:Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM48981(2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4,4,8...)
Affinity DataEC50:  1.29E+4nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM48981(2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4,4,8...)
Affinity DataEC50:  9.47E+3nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay