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BDBM47567 MLS000533951::SMR000141388::[3-amino-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl](cyclopropyl)methanone::[3-amino-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropyl-methanone::[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)-2-thieno[2,3-b]pyridinyl]-cyclopropylmethanone::[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropylmethanone::[3-azanyl-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-cyclopropyl-methanone::cid_1039936

SMILES: Nc1c(sc2nc(cc(c12)C(F)(F)F)-c1cccs1)C(=O)C1CC1

InChI Key: InChIKey=UWBCHNUFEKEGCH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 47567   
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
Glutathione S-transferase Mu 1


(Homo sapiens (Human))
BDBM47567
PNG
(MLS000533951 | SMR000141388 | [3-amino-6-(2-thieny...)
Show SMILES Nc1c(sc2nc(cc(c12)C(F)(F)F)-c1cccs1)C(=O)C1CC1
Show InChI InChI=1S/C16H11F3N2OS2/c17-16(18,19)8-6-9(10-2-1-5-23-10)21-15-11(8)12(20)14(24-15)13(22)7-3-4-7/h1-2,5-7H,3-4,20H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.93E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM47567
PNG
(MLS000533951 | SMR000141388 | [3-amino-6-(2-thieny...)
Show SMILES Nc1c(sc2nc(cc(c12)C(F)(F)F)-c1cccs1)C(=O)C1CC1
Show InChI InChI=1S/C16H11F3N2OS2/c17-16(18,19)8-6-9(10-2-1-5-23-10)21-15-11(8)12(20)14(24-15)13(22)7-3-4-7/h1-2,5-7H,3-4,20H2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.06E+4n/an/an/an/a



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 (2011)


BindingDB Entry DOI: 10.7270/Q2TB15DB
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM47567
PNG
(MLS000533951 | SMR000141388 | [3-amino-6-(2-thieny...)
Show SMILES Nc1c(sc2nc(cc(c12)C(F)(F)F)-c1cccs1)C(=O)C1CC1
Show InChI InChI=1S/C16H11F3N2OS2/c17-16(18,19)8-6-9(10-2-1-5-23-10)21-15-11(8)12(20)14(24-15)13(22)7-3-4-7/h1-2,5-7H,3-4,20H2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/an/an/an/a



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 (2011)


BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair