BDBM70287 MLS000073782::N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidine-2-sulfonyl)-propionamide::N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propionamide::N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-propanamide::N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide::N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]propanamide::SMR000006025::cid_655335

SMILES CC(C)c1nnc(NC(=O)CCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)-c2cccs2)s1

InChI Key InChIKey=CKELAGJMAWSHKC-UHFFFAOYSA-N

Data  2 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 70287   

TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM70287(N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-[4-thiop...)
Affinity DataEC50: >3.80E+5nMAssay 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
LigandPNGBDBM70287(N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-[4-thiop...)
Affinity DataEC50:  3.04E+4nMAssay 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
TargetMitochondrial import inner membrane translocase subunit TIM10(Baker's yeast)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM70287(N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-[4-thiop...)
Affinity DataIC50: 1.19E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetMitochondrial import inner membrane translocase subunit TIM23(Baker's yeast)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM70287(N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-[4-thiop...)
Affinity DataIC50: 8.43E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetBeta-2 adrenergic receptor(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM70287(N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-[4-thiop...)
Affinity DataEC50:  3.37E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: R03 MH093192-01 Project Title: HTS for Non-Canonical Ligands for Beta 2 Adrenergic Receptor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/6/2012
Entry Details
PCBioAssay