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12 similar compounds to monomer 66127

Compile data set for download or QSAR
Wt: 357.4
BDBM53459
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Wt: 391.8
BDBM58421
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Wt: 369.4
BDBM67338
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Wt: 343.4
BDBM71291
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Wt: 327.4
BDBM69656
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Wt: 343.4
BDBM76682
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Wt: 523.6
BDBM50202172
Wt: 327.4
BDBM50275619
Wt: 357.4
BDBM50275620
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Wt: 295.3
BDBM50372899
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Wt: 295.3
BDBM50372910
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Wt: 436.3
BDBM50381557

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 53459,58421,67338,71291,69656,76682,50202172,50275619,50275620,50372899,50372910,50381557   
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
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (UCH-L1)


(Mus musculus (Mouse))
BDBM53459
PNG
((5E)-3-benzyl-2-thioxo-5-vanillylidene-thiazolidin...)
Show SMILES COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1O
Show InChI InChI=1S/C18H15NO3S2/c1-22-15-9-13(7-8-14(15)20)10-16-17(21)19(18(23)24-16)11-12-5-3-2-4-6-12/h2-10,20H,11H2,1H3/b16-10+
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n/an/a 1.80E+4n/an/an/an/a7.625



Brigham and Women's Hospital



Assay Description
Inhibition activity and selectivity for UCH-L1 and UCH-L3.


Chem Biol 10: 837-46 (2003)


Article DOI: 10.1016/j.chembiol.2003.08.010
BindingDB Entry DOI: 10.7270/Q20Z71P9
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50381557
PNG
(CHEMBL2018134)
Show SMILES COc1ccc(CN2C(=S)S\C(=C/c3ccc(O)c(Br)c3)C2=O)cc1
Show InChI InChI=1S/C18H14BrNO3S2/c1-23-13-5-2-11(3-6-13)10-20-17(22)16(25-18(20)24)9-12-4-7-15(21)14(19)8-12/h2-9,21H,10H2,1H3/b16-9-
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n/an/a 90n/an/an/an/an/an/a



Sumitomo Chemical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17-beta-HSD3 expressed in human HeLa cells using androstenedione as substrate preincubated for 30 mins prior substrat...


Bioorg Med Chem 20: 3242-54 (2012)


Article DOI: 10.1016/j.bmc.2012.03.052
BindingDB Entry DOI: 10.7270/Q2RF5W2G
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58421
PNG
((5E)-3-benzyl-5-(3-chloro-4-hydroxy-5-methoxy-benz...)
Show SMILES COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1O
Show InChI InChI=1S/C18H14ClNO3S2/c1-23-14-8-12(7-13(19)16(14)21)9-15-17(22)20(18(24)25-15)10-11-5-3-2-4-6-11/h2-9,21H,10H2,1H3/b15-9+
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n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens (Human))
BDBM58421
PNG
((5E)-3-benzyl-5-(3-chloro-4-hydroxy-5-methoxy-benz...)
Show SMILES COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1O
Show InChI InChI=1S/C18H14ClNO3S2/c1-23-14-8-12(7-13(19)16(14)21)9-15-17(22)20(18(24)25-15)10-11-5-3-2-4-6-11/h2-9,21H,10H2,1H3/b15-9+
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n/an/a 2.00E+5n/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, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2QZ28D7
More data for this
Ligand-Target Pair
Apelin receptor


(Homo sapiens (Human))
BDBM67338
PNG
(4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-...)
Show SMILES CC(=O)Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C19H15NO3S2/c1-13(21)23-16-9-7-14(8-10-16)11-17-18(22)20(19(24)25-17)12-15-5-3-2-4-6-15/h2-11H,12H2,1H3/b17-11+
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n/an/a>4.00E+4n/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- Sanford-Burnham Medical Research Institute(SBMRI, San...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MK6BBZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM69656
PNG
((5E)-3-benzyl-5-(4-hydroxybenzylidene)-2-thioxo-th...)
Show SMILES Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C17H13NO2S2/c19-14-8-6-12(7-9-14)10-15-16(20)18(17(21)22-15)11-13-4-2-1-3-5-13/h1-10,19H,11H2/b15-10+
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n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM76682
PNG
((5E)-3-benzyl-5-(3,4-dihydroxybenzylidene)-2-thiox...)
Show SMILES Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C17H13NO3S2/c19-13-7-6-12(8-14(13)20)9-15-16(21)18(17(22)23-15)10-11-4-2-1-3-5-11/h1-9,19-20H,10H2/b15-9+
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n/an/a 1.15E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27H1H10
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM69656
PNG
((5E)-3-benzyl-5-(4-hydroxybenzylidene)-2-thioxo-th...)
Show SMILES Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C17H13NO2S2/c19-14-8-6-12(7-9-14)10-15-16(20)18(17(21)22-15)11-13-4-2-1-3-5-13/h1-10,19H,11H2/b15-10+
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n/an/a 4.10E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM76682
PNG
((5E)-3-benzyl-5-(3,4-dihydroxybenzylidene)-2-thiox...)
Show SMILES Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C17H13NO3S2/c19-13-7-6-12(8-14(13)20)9-15-16(21)18(17(22)23-15)10-11-4-2-1-3-5-11/h1-9,19-20H,10H2/b15-9+
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n/an/a 6.75E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM71291
PNG
((5E)-3-benzyl-5-(2,3-dihydroxybenzylidene)-2-thiox...)
Show SMILES Oc1cccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O
Show InChI InChI=1S/C17H13NO3S2/c19-13-8-4-7-12(15(13)20)9-14-16(21)18(17(22)23-14)10-11-5-2-1-3-6-11/h1-9,19-20H,10H2/b14-9+
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n/an/a>1.00E+5n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2X63KDM
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM69656
PNG
((5E)-3-benzyl-5-(4-hydroxybenzylidene)-2-thioxo-th...)
Show SMILES Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C17H13NO2S2/c19-14-8-6-12(7-9-14)10-15-16(20)18(17(21)22-15)11-13-4-2-1-3-5-13/h1-10,19H,11H2/b15-10+
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n/an/a 9.59E+3n/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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM76682
PNG
((5E)-3-benzyl-5-(3,4-dihydroxybenzylidene)-2-thiox...)
Show SMILES Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C17H13NO3S2/c19-13-7-6-12(8-14(13)20)9-15-16(21)18(17(22)23-15)10-11-4-2-1-3-5-11/h1-9,19-20H,10H2/b15-9+
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n/an/a 1.07E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM71291
PNG
((5E)-3-benzyl-5-(2,3-dihydroxybenzylidene)-2-thiox...)
Show SMILES Oc1cccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O
Show InChI InChI=1S/C17H13NO3S2/c19-13-8-4-7-12(15(13)20)9-14-16(21)18(17(22)23-14)10-11-5-2-1-3-6-11/h1-9,19-20H,10H2/b14-9+
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n/an/a>1.00E+5n/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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NS0SCW
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM71291
PNG
((5E)-3-benzyl-5-(2,3-dihydroxybenzylidene)-2-thiox...)
Show SMILES Oc1cccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O
Show InChI InChI=1S/C17H13NO3S2/c19-13-8-4-7-12(15(13)20)9-14-16(21)18(17(22)23-14)10-11-5-2-1-3-6-11/h1-9,19-20H,10H2/b14-9+
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n/an/a>1.00E+5n/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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM71291
PNG
((5E)-3-benzyl-5-(2,3-dihydroxybenzylidene)-2-thiox...)
Show SMILES Oc1cccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O
Show InChI InChI=1S/C17H13NO3S2/c19-13-8-4-7-12(15(13)20)9-14-16(21)18(17(22)23-14)10-11-5-2-1-3-6-11/h1-9,19-20H,10H2/b14-9+
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n/an/a 3.23E+3n/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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM69656
PNG
((5E)-3-benzyl-5-(4-hydroxybenzylidene)-2-thioxo-th...)
Show SMILES Oc1ccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C17H13NO2S2/c19-14-8-6-12(7-9-14)10-15-16(20)18(17(21)22-15)11-13-4-2-1-3-5-13/h1-10,19H,11H2/b15-10+
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n/an/a 8.00E+3n/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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27H1H10
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM71291
PNG
((5E)-3-benzyl-5-(2,3-dihydroxybenzylidene)-2-thiox...)
Show SMILES Oc1cccc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O
Show InChI InChI=1S/C17H13NO3S2/c19-13-8-4-7-12(15(13)20)9-14-16(21)18(17(22)23-14)10-11-5-2-1-3-6-11/h1-9,19-20H,10H2/b14-9+
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n/an/a 4.72E+4n/an/an/an/an/a25



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/Q2HQ3XD6
More data for this
Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)


(Homo sapiens (Human))
BDBM50202172
PNG
(5-(3,4-bis(benzyloxy)benzylidene)-3-benzyl-2-thiox...)
Show SMILES O=C1N(Cc2ccccc2)C(=S)S\C1=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
Show InChI InChI=1S/C31H25NO3S2/c33-30-29(37-31(36)32(30)20-23-10-4-1-5-11-23)19-26-16-17-27(34-21-24-12-6-2-7-13-24)28(18-26)35-22-25-14-8-3-9-15-25/h1-19H,20-22H2/b29-19+
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n/an/a>6.70E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ADAMTS5


Bioorg Med Chem Lett 17: 1185-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.027
BindingDB Entry DOI: 10.7270/Q2PN95BB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50275620
PNG
(3-benzyl-5-(4-hydroxy-3-methoxybenzylidene)-2-thio...)
Show SMILES COc1cc(\C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1O
Show InChI InChI=1S/C18H15NO3S2/c1-22-15-9-13(7-8-14(15)20)10-16-17(21)19(18(23)24-16)11-12-5-3-2-4-6-12/h2-10,20H,11H2,1H3/b16-10-
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n/an/a 1.43E+4n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin)


Bioorg Med Chem Lett 18: 5372-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.058
BindingDB Entry DOI: 10.7270/Q2J38SC3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50275619
PNG
(3-benzyl-5-(4-hydroxybenzylidene)-2-thioxothiazoli...)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1
Show InChI InChI=1S/C17H13NO2S2/c19-14-8-6-12(7-9-14)10-15-16(20)18(17(21)22-15)11-13-4-2-1-3-5-13/h1-10,19H,11H2/b15-10-
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UniChem

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Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin)


Bioorg Med Chem Lett 18: 5372-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.058
BindingDB Entry DOI: 10.7270/Q2J38SC3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50372899
PNG
(CHEMBL403367)
Show SMILES CCN1C(=S)S\C(=C/c2ccc(O)c(OC)c2)C1=O
Show InChI InChI=1S/C13H13NO3S2/c1-3-14-12(16)11(19-13(14)18)7-8-4-5-9(15)10(6-8)17-2/h4-7,15H,3H2,1-2H3/b11-7-
PDB

UniProtKB/SwissProt

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CHEMBL
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UniChem

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Article
PubMed
n/an/a 740n/an/an/an/an/an/a



University of Paisley

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 18: 2032-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.117
BindingDB Entry DOI: 10.7270/Q2BG2PVS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50372910
PNG
(CHEMBL255611)
Show SMILES CCN1C(=S)S\C(=C/c2ccc(OC)c(O)c2)C1=O
Show InChI InChI=1S/C13H13NO3S2/c1-3-14-12(16)11(19-13(14)18)7-8-4-5-10(17-2)9(15)6-8/h4-7,15H,3H2,1-2H3/b11-7-
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CHEMBL
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UniChem

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Article
PubMed
n/an/a 1.12E+4n/an/an/an/an/an/a



University of Paisley

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 18: 2032-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.117
BindingDB Entry DOI: 10.7270/Q2BG2PVS
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM53459
PNG
((5E)-3-benzyl-2-thioxo-5-vanillylidene-thiazolidin...)
Show SMILES COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1O
Show InChI InChI=1S/C18H15NO3S2/c1-22-15-9-13(7-8-14(15)20)10-16-17(21)19(18(23)24-16)11-12-5-3-2-4-6-12/h2-10,20H,11H2,1H3/b16-10+
PDB
MMDB

KEGG

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B.MOAD
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PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair