BindingDB logo
myBDB logout

null

SMILES: CC(C)(C)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)-c1cccs1

InChI Key: InChIKey=KYYHYCQDJPMGQP-UHFFFAOYSA-N

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 8 hits for monomerid = 44480   
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
Ephrin type-A receptor 4


(Mus musculus)
BDBM44480
PNG
(1-(3-Amino-6-thiophen-2-yl-4-trifluoromethyl-thien...)
Show SMILES CC(C)(C)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C17H15F3N2OS2/c1-16(2,3)14(23)13-12(21)11-8(17(18,19)20)7-9(22-15(11)25-13)10-5-4-6-24-10/h4-7H,21H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.90E+3n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2P55KW4
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4


(Mus musculus)
BDBM44480
PNG
(1-(3-Amino-6-thiophen-2-yl-4-trifluoromethyl-thien...)
Show SMILES CC(C)(C)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C17H15F3N2OS2/c1-16(2,3)14(23)13-12(21)11-8(17(18,19)20)7-9(22-15(11)25-13)10-5-4-6-24-10/h4-7H,21H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2JD4V5T
More data for this
Ligand-Target Pair
POsterior Segregation


(Caenorhabditis elegans)
BDBM44480
PNG
(1-(3-Amino-6-thiophen-2-yl-4-trifluoromethyl-thien...)
Show SMILES CC(C)(C)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C17H15F3N2OS2/c1-16(2,3)14(23)13-12(21)11-8(17(18,19)20)7-9(22-15(11)25-13)10-5-4-6-24-10/h4-7H,21H2,1-3H3
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
Corticotropin-releasing factor-binding protein


(Homo sapiens (Human))
BDBM44480
PNG
(1-(3-Amino-6-thiophen-2-yl-4-trifluoromethyl-thien...)
Show SMILES CC(C)(C)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C17H15F3N2OS2/c1-16(2,3)14(23)13-12(21)11-8(17(18,19)20)7-9(22-15(11)25-13)10-5-4-6-24-10/h4-7H,21H2,1-3H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.80E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM44480
PNG
(1-(3-Amino-6-thiophen-2-yl-4-trifluoromethyl-thien...)
Show SMILES CC(C)(C)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C17H15F3N2OS2/c1-16(2,3)14(23)13-12(21)11-8(17(18,19)20)7-9(22-15(11)25-13)10-5-4-6-24-10/h4-7H,21H2,1-3H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.59E+3n/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
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM44480
PNG
(1-(3-Amino-6-thiophen-2-yl-4-trifluoromethyl-thien...)
Show SMILES CC(C)(C)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C17H15F3N2OS2/c1-16(2,3)14(23)13-12(21)11-8(17(18,19)20)7-9(22-15(11)25-13)10-5-4-6-24-10/h4-7H,21H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM44480
PNG
(1-(3-Amino-6-thiophen-2-yl-4-trifluoromethyl-thien...)
Show SMILES CC(C)(C)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C17H15F3N2OS2/c1-16(2,3)14(23)13-12(21)11-8(17(18,19)20)7-9(22-15(11)25-13)10-5-4-6-24-10/h4-7H,21H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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/Q2TB15DB
More data for this
Ligand-Target Pair
Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM44480
PNG
(1-(3-Amino-6-thiophen-2-yl-4-trifluoromethyl-thien...)
Show SMILES CC(C)(C)C(=O)c1sc2nc(cc(c2c1N)C(F)(F)F)-c1cccs1
Show InChI InChI=1S/C17H15F3N2OS2/c1-16(2,3)14(23)13-12(21)11-8(17(18,19)20)7-9(22-15(11)25-13)10-5-4-6-24-10/h4-7H,21H2,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair