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SMILES: Cc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccccc2F)s1

InChI Key: InChIKey=ZRHCTPGBIWNRSG-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 6 hits for monomerid = 50259   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50259
PNG
((5E)-1-(2-fluorophenyl)-5-[(5-methyl-2-thienyl)met...)
Show SMILES Cc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccccc2F)s1 |w:5.4|
Show InChI InChI=1S/C16H11FN2O2S2/c1-9-6-7-10(23-9)8-11-14(20)18-16(22)19(15(11)21)13-5-3-2-4-12(13)17/h2-8H,1H3,(H,18,20,22)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/a 4.91E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
60S ribosomal protein L19-A


(Saccharomyces cerevisiae)
BDBM50259
PNG
((5E)-1-(2-fluorophenyl)-5-[(5-methyl-2-thienyl)met...)
Show SMILES Cc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccccc2F)s1 |w:5.4|
Show InChI InChI=1S/C16H11FN2O2S2/c1-9-6-7-10(23-9)8-11-14(20)18-16(22)19(15(11)21)13-5-3-2-4-12(13)17/h2-8H,1H3,(H,18,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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n/an/an/an/a 1.36E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JQ0ZGP
More data for this
Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM50259
PNG
((5E)-1-(2-fluorophenyl)-5-[(5-methyl-2-thienyl)met...)
Show SMILES Cc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccccc2F)s1 |w:5.4|
Show InChI InChI=1S/C16H11FN2O2S2/c1-9-6-7-10(23-9)8-11-14(20)18-16(22)19(15(11)21)13-5-3-2-4-12(13)17/h2-8H,1H3,(H,18,20,22)
UniProtKB/TrEMBL

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n/an/a>8.00E+4n/an/an/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM50259
PNG
((5E)-1-(2-fluorophenyl)-5-[(5-methyl-2-thienyl)met...)
Show SMILES Cc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccccc2F)s1 |w:5.4|
Show InChI InChI=1S/C16H11FN2O2S2/c1-9-6-7-10(23-9)8-11-14(20)18-16(22)19(15(11)21)13-5-3-2-4-12(13)17/h2-8H,1H3,(H,18,20,22)
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n/an/a 3.64E+4n/an/an/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2ZS2TZG
More data for this
Ligand-Target Pair
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM50259
PNG
((5E)-1-(2-fluorophenyl)-5-[(5-methyl-2-thienyl)met...)
Show SMILES Cc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccccc2F)s1 |w:5.4|
Show InChI InChI=1S/C16H11FN2O2S2/c1-9-6-7-10(23-9)8-11-14(20)18-16(22)19(15(11)21)13-5-3-2-4-12(13)17/h2-8H,1H3,(H,18,20,22)
UniProtKB/TrEMBL

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n/an/a>8.00E+4n/an/an/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Homo sapiens (Human))
BDBM50259
PNG
((5E)-1-(2-fluorophenyl)-5-[(5-methyl-2-thienyl)met...)
Show SMILES Cc1ccc(C=C2C(=O)NC(=S)N(C2=O)c2ccccc2F)s1 |w:5.4|
Show InChI InChI=1S/C16H11FN2O2S2/c1-9-6-7-10(23-9)8-11-14(20)18-16(22)19(15(11)21)13-5-3-2-4-12(13)17/h2-8H,1H3,(H,18,20,22)
PDB

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antibodypedia
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n/an/a>8.00E+4n/an/an/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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V12389
More data for this
Ligand-Target Pair