BDBM11994 2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl}acetic acid::Interchim compound 56

SMILES Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1

InChI Key InChIKey=DASVXRJADIYRNJ-UHFFFAOYSA-N

Data  2 KI  2 IC50  2 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 5 hits for monomerid = 11994   

TargetLethal factor(Bacillus anthracis)
Montana State University

LigandPNGBDBM11994(2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl...)
Affinity DataKi:  1.60E+3nM ΔG°:  -7.95kcal/mole IC50:  2.90E+3nMpH: 7.2 T: 2°CAssay Description:For selected lead compounds from fluorescence-based high-throughput screening, the concentrations of inhibitor that caused 50% inhibition of enzymati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM11994(2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl...)
Affinity DataKi:  2.09E+3nMAssay Description:Inhibition of recombinant vaccina H1-related phosphatase expressed in Escherichia coli by Michaelis-Menton kinetic studiesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Swiss Federal Institute Of Technology (Eth)

Curated by ChEMBL
LigandPNGBDBM11994(2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl...)
Affinity DataEC50: >3.00E+4nMAssay Description:Transactivation of human Gal4-fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
Swiss Federal Institute Of Technology (Eth)

Curated by ChEMBL
LigandPNGBDBM11994(2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl...)
Affinity DataEC50: >3.00E+4nMAssay Description:Transactivation of human Gal4-fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by dual-glo luciferase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicative DNA helicase(Staphylococcus aureus)
Microbiotix

Curated by ChEMBL
LigandPNGBDBM11994(2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl...)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed