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SMILES: CCOC(=O)C(=Cc1ccccc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1

InChI Key: InChIKey=ILAAJMWXHYLNQV-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 3 hits for monomerid = 48221   
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
Matrix metalloproteinase-14 [1-36]


(Homo sapiens (Human))
BDBM48221
PNG
((Z)-2-(4-acetyl-5-anilino-thiophene-2-carbonyl)-3-...)
Show SMILES CCOC(=O)C(=Cc1ccccc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 |w:6.6|
Show InChI InChI=1S/C24H21NO4S/c1-3-29-24(28)20(14-17-10-6-4-7-11-17)22(27)21-15-19(16(2)26)23(30-21)25-18-12-8-5-9-13-18/h4-15,25H,3H2,1-2H3
UniProtKB/SwissProt

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PCBioAssay
n/an/an/an/a 1.44E+4n/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/Q2154FGT
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM48221
PNG
((Z)-2-(4-acetyl-5-anilino-thiophene-2-carbonyl)-3-...)
Show SMILES CCOC(=O)C(=Cc1ccccc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 |w:6.6|
Show InChI InChI=1S/C24H21NO4S/c1-3-29-24(28)20(14-17-10-6-4-7-11-17)22(27)21-15-19(16(2)26)23(30-21)25-18-12-8-5-9-13-18/h4-15,25H,3H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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n/an/an/an/a 1.06E+3n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM48221
PNG
((Z)-2-(4-acetyl-5-anilino-thiophene-2-carbonyl)-3-...)
Show SMILES CCOC(=O)C(=Cc1ccccc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 |w:6.6|
Show InChI InChI=1S/C24H21NO4S/c1-3-29-24(28)20(14-17-10-6-4-7-11-17)22(27)21-15-19(16(2)26)23(30-21)25-18-12-8-5-9-13-18/h4-15,25H,3H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem

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n/an/an/an/a 1.74E+4n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair