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Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase (TcrPDEC)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50020875
PNG
(1-Ethyl-4-(N'-isopropylidene-hydrazino)-1H-pyrazol...)
Show SMILES CCOC(=O)c1cnc2n(CC)ncc2c1N=NC(C)C
Show InChI InChI=1S/C14H19N5O2/c1-5-19-13-10(8-16-19)12(18-17-9(3)4)11(7-15-13)14(20)21-6-2/h7-9H,5-6H2,1-4H3
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n/an/a 700n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


J Biol Chem 287: 11788-97 (2012)


Article DOI: 10.1074/jbc.M111.326777
BindingDB Entry DOI: 10.7270/Q2K9364D
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM23620
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin...)
Show SMILES OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO
Show InChI InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
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n/an/a 6.90E+3n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


J Biol Chem 287: 11788-97 (2012)


Article DOI: 10.1074/jbc.M111.326777
BindingDB Entry DOI: 10.7270/Q2K9364D
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM86219
PNG
(CAS_5537 | NSC_5537 | Trequinsin)
Show SMILES COc1cc2CCn3c(cc(=Nc4c(C)cc(C)cc4C)n(C)c3=O)-c2cc1OC
Show InChI InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3
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n/an/a 3.90E+3n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


J Biol Chem 287: 11788-97 (2012)


Article DOI: 10.1074/jbc.M111.326777
BindingDB Entry DOI: 10.7270/Q2K9364D
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM14754
PNG
(1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoq...)
Show SMILES COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
Show InChI InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
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n/an/a 2.50E+4n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


J Biol Chem 287: 11788-97 (2012)


Article DOI: 10.1074/jbc.M111.326777
BindingDB Entry DOI: 10.7270/Q2K9364D
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM15336
PNG
(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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n/an/a 6.80E+4n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


J Biol Chem 287: 11788-97 (2012)


Article DOI: 10.1074/jbc.M111.326777
BindingDB Entry DOI: 10.7270/Q2K9364D
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM22926
PNG
(3-(6-amino-9H-purin-9-yl)nonan-2-ol | EHNA | Eryth...)
Show SMILES CCCCCCC(C(C)O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)
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n/an/a>1.00E+5n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


J Biol Chem 287: 11788-97 (2012)


Article DOI: 10.1074/jbc.M111.326777
BindingDB Entry DOI: 10.7270/Q2K9364D
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a>1.00E+3n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


J Biol Chem 287: 11788-97 (2012)


Article DOI: 10.1074/jbc.M111.326777
BindingDB Entry DOI: 10.7270/Q2K9364D
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM15297
PNG
(CHEMBL34431 | Cilostamide | N-Cyclohexyl-N-methyl-...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1
Show InChI InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)
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n/an/a>1.00E+5n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


J Biol Chem 287: 11788-97 (2012)


Article DOI: 10.1074/jbc.M111.326777
BindingDB Entry DOI: 10.7270/Q2K9364D
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM14769
PNG
(6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...)
Show SMILES COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


J Biol Chem 287: 11788-97 (2012)


Article DOI: 10.1074/jbc.M111.326777
BindingDB Entry DOI: 10.7270/Q2K9364D
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


J Biol Chem 287: 11788-97 (2012)


Article DOI: 10.1074/jbc.M111.326777
BindingDB Entry DOI: 10.7270/Q2K9364D
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM92337
PNG
(Ro20-1724)
Show SMILES CCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C14H20N2O3/c1-3-6-19-13-8-10(4-5-12(13)18-2)7-11-9-15-14(17)16-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H2,15,16,17)
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n/an/a>1.00E+5n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


J Biol Chem 287: 11788-97 (2012)


Article DOI: 10.1074/jbc.M111.326777
BindingDB Entry DOI: 10.7270/Q2K9364D
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM10850
PNG
(1-(5-Oxohexyl)theobromine (pentoxifylline) | 3,7-d...)
Show SMILES CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O
Show InChI InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


J Biol Chem 287: 11788-97 (2012)


Article DOI: 10.1074/jbc.M111.326777
BindingDB Entry DOI: 10.7270/Q2K9364D
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM92338
PNG
(Wyq16#)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NC(=O)OC(C)C
Show InChI InChI=1S/C21H27N5O6S/c1-6-8-15-17-18(26(5)24-15)20(27)23-19(22-17)14-11-13(9-10-16(14)31-7-2)33(29,30)25-21(28)32-12(3)4/h9-12H,6-8H2,1-5H3,(H,25,28)(H,22,23,27)
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n/an/a 230n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


J Biol Chem 287: 11788-97 (2012)


Article DOI: 10.1074/jbc.M111.326777
BindingDB Entry DOI: 10.7270/Q2K9364D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


J Biol Chem 287: 11788-97 (2012)


Article DOI: 10.1074/jbc.M111.326777
BindingDB Entry DOI: 10.7270/Q2K9364D
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336515
PNG
((E)-N'-(pyridin-4-ylmethylene)-2-(5-(pyrrolidin-1-...)
Show SMILES O=C(Cn1nnc(n1)N1CCCC1)N\N=C\c1ccncc1
Show InChI InChI=1S/C13H16N8O/c22-12(16-15-9-11-3-5-14-6-4-11)10-21-18-13(17-19-21)20-7-1-2-8-20/h3-6,9H,1-2,7-8,10H2,(H,16,22)/b15-9+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336516
PNG
(5-((4-chlorophenylthio)methyl)-3-((pyridin-2-ylsul...)
Show SMILES Clc1ccc(SCc2nc(CS(=O)(=O)c3ccccn3)no2)cc1
Show InChI InChI=1S/C15H12ClN3O3S2/c16-11-4-6-12(7-5-11)23-9-14-18-13(19-22-14)10-24(20,21)15-3-1-2-8-17-15/h1-8H,9-10H2
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336517
PNG
(1-cyclopentyl-3-(4-(piperidin-1-ylsulfonyl)phenyl)...)
Show SMILES O=C(NC1CCCC1)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C17H25N3O3S/c21-17(18-14-6-2-3-7-14)19-15-8-10-16(11-9-15)24(22,23)20-12-4-1-5-13-20/h8-11,14H,1-7,12-13H2,(H2,18,19,21)
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336518
PNG
(3-((4-fluorophenylsulfonyl)methyl)-5-(thiophen-2-y...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Cc1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H9FN2O3S2/c14-9-3-5-10(6-4-9)21(17,18)8-12-15-13(19-16-12)11-2-1-7-20-11/h1-7H,8H2
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336519
PNG
(3-(4-chlorophenylthio)-1-(pyridin-4-ylmethyl)pyrro...)
Show SMILES Clc1ccc(SC2CC(=O)N(Cc3ccncc3)C2=O)cc1
Show InChI InChI=1S/C16H13ClN2O2S/c17-12-1-3-13(4-2-12)22-14-9-15(20)19(16(14)21)10-11-5-7-18-8-6-11/h1-8,14H,9-10H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336520
PNG
(2-(2-(4-chlorophenyl)-2-oxoethylthio)-6-(dimethoxy...)
Show SMILES COC(OC)c1ccc(C#N)c(SCC(=O)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C17H15ClN2O3S/c1-22-17(23-2)14-8-5-12(9-19)16(20-14)24-10-15(21)11-3-6-13(18)7-4-11/h3-8,17H,10H2,1-2H3
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336521
PNG
(2-((4-(1,3-dithiolan-2-yl)phenoxy)methyl)thiazole-...)
Show SMILES NNC(=O)c1csc(COc2ccc(cc2)C2SCCS2)n1
Show InChI InChI=1S/C14H15N3O2S3/c15-17-13(18)11-8-22-12(16-11)7-19-10-3-1-9(2-4-10)14-20-5-6-21-14/h1-4,8,14H,5-7,15H2,(H,17,18)
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336522
PNG
(2-(indolin-1-yl)-N-(5-(thiophen-2-yl)-2,3-dihydro-...)
Show SMILES O=C(CN1CCc2ccccc12)Nc1nnc(s1)-c1cccs1
Show InChI InChI=1S/C16H14N4OS2/c21-14(10-20-8-7-11-4-1-2-5-12(11)20)17-16-19-18-15(23-16)13-6-3-9-22-13/h1-6,9H,7-8,10H2,(H,17,19,21)
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336523
PNG
(3-benzyl-N-(2-fluorophenyl)-3H-[1,2,3]triazolo[4,5...)
Show SMILES Fc1ccccc1Nc1ncnc2n(Cc3ccccc3)nnc12
Show InChI InChI=1S/C17H13FN6/c18-13-8-4-5-9-14(13)21-16-15-17(20-11-19-16)24(23-22-15)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,20,21)
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336524
PNG
(CHEMBL1673322 | N-(2-chlorophenyl)-2-(7-chloroquin...)
Show SMILES Clc1ccc2c(OCC(=O)Nc3ccccc3Cl)ncnc2c1
Show InChI InChI=1S/C16H11Cl2N3O2/c17-10-5-6-11-14(7-10)19-9-20-16(11)23-8-15(22)21-13-4-2-1-3-12(13)18/h1-7,9H,8H2,(H,21,22)
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336525
PNG
(CHEMBL1673320 | ethyl 2-((4-(1,3-dithiolan-2-yl)ph...)
Show SMILES CCOC(=O)c1csc(COc2ccc(cc2)C2SCCS2)n1
Show InChI InChI=1S/C16H17NO3S3/c1-2-19-15(18)13-10-23-14(17-13)9-20-12-5-3-11(4-6-12)16-21-7-8-22-16/h3-6,10,16H,2,7-9H2,1H3
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336526
PNG
(1-(benzo[b]thiophen-3-yl)-3-(2,3-dihydro-1H-inden-...)
Show SMILES O=C(NC1Cc2ccccc2C1)Nc1csc2ccccc12
Show InChI InChI=1S/C18H16N2OS/c21-18(19-14-9-12-5-1-2-6-13(12)10-14)20-16-11-22-17-8-4-3-7-15(16)17/h1-8,11,14H,9-10H2,(H2,19,20,21)
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336527
PNG
(CHEMBL1673318 | N-((2-(thiophen-2-yl)thiazol-4-yl)...)
Show SMILES O=C(NCc1csc(n1)-c1cccs1)C1=Cc2ccccc2OC1
Show InChI InChI=1S/C18H14N2O2S2/c21-17(13-8-12-4-1-2-5-15(12)22-10-13)19-9-14-11-24-18(20-14)16-6-3-7-23-16/h1-8,11H,9-10H2,(H,19,21)
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336528
PNG
(CHEMBL1673317 | S-furan-2-ylmethyl 2-(2,3-dihydrob...)
Show SMILES O=C(SCc1ccco1)c1csc(n1)C1COc2ccccc2O1
Show InChI InChI=1S/C17H13NO4S2/c19-17(24-9-11-4-3-7-20-11)12-10-23-16(18-12)15-8-21-13-5-1-2-6-14(13)22-15/h1-7,10,15H,8-9H2
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50273507
PNG
(1-[4-Methoxy-3-(tetrahydrofuran-3-yloxy)phenyl]-3-...)
Show SMILES COc1ccc(cc1OC1CCOC1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C20H22O4/c1-22-19-10-8-16(13-20(19)24-17-11-12-23-14-17)18(21)9-7-15-5-3-2-4-6-15/h2-6,8,10,13,17H,7,9,11-12,14H2,1H3
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50273412
PNG
(3-Cyclohexyl-1-[4-methoxy-3-(tetrahydrofuran-3-ylo...)
Show SMILES COc1ccc(cc1OC1CCOC1)C(=O)CCC1CCCCC1
Show InChI InChI=1S/C20H28O4/c1-22-19-10-8-16(13-20(19)24-17-11-12-23-14-17)18(21)9-7-15-5-3-2-4-6-15/h8,10,13,15,17H,2-7,9,11-12,14H2,1H3
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50273920
PNG
(1-[4-Methoxy-3-(tetrahydropyran-4-yloxy)phenyl]pen...)
Show SMILES CCCCC(=O)c1ccc(OC)c(OC2CCOCC2)c1
Show InChI InChI=1S/C17H24O4/c1-3-4-5-15(18)13-6-7-16(19-2)17(12-13)21-14-8-10-20-11-9-14/h6-7,12,14H,3-5,8-11H2,1-2H3
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336529
PNG
(4-(difluoromethoxy)-3-hydroxybenzaldehyde | CHEMBL...)
Show SMILES Oc1cc(C=O)ccc1OC(F)F
Show InChI InChI=1S/C8H6F2O3/c9-8(10)13-7-2-1-5(4-11)3-6(7)12/h1-4,8,12H
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336530
PNG
(1-(4-methoxy-3-(tetrahydrofuran-3-yloxy)phenyl)but...)
Show SMILES CCCC(O)c1ccc(OC)c(OC2CCOC2)c1
Show InChI InChI=1S/C15H22O4/c1-3-4-13(16)11-5-6-14(17-2)15(9-11)19-12-7-8-18-10-12/h5-6,9,12-13,16H,3-4,7-8,10H2,1-2H3
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336531
PNG
(4-methoxy-3-(tetrahydrofuran-3-yloxy)benzaldehyde ...)
Show SMILES COc1ccc(C=O)cc1OC1CCOC1
Show InChI InChI=1S/C12H14O4/c1-14-11-3-2-9(7-13)6-12(11)16-10-4-5-15-8-10/h2-3,6-7,10H,4-5,8H2,1H3
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50273335
PNG
(1-[4-Methoxy-3-(tetrahydrofuran-3-yloxy)phenyl]but...)
Show SMILES CCCC(=O)c1ccc(OC)c(OC2CCOC2)c1
Show InChI InChI=1S/C15H20O4/c1-3-4-13(16)11-5-6-14(17-2)15(9-11)19-12-7-8-18-10-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336532
PNG
(1-(4-methoxy-3-(tetrahydro-2H-pyran-4-yloxy)phenyl...)
Show SMILES CCCC(O)c1ccc(OC)c(OC2CCOCC2)c1
Show InChI InChI=1S/C16H24O4/c1-3-4-14(17)12-5-6-15(18-2)16(11-12)20-13-7-9-19-10-8-13/h5-6,11,13-14,17H,3-4,7-10H2,1-2H3
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336533
PNG
(3-allyl-7-(5-(furan-2-yl)-1,3,4-oxadiazol-2-ylthio...)
Show SMILES C=CCn1c2ncnc(Sc3nnc(o3)-c3ccco3)c2sc1=S
Show InChI InChI=1S/C14H9N5O2S3/c1-2-5-19-10-9(23-14(19)22)12(16-7-15-10)24-13-18-17-11(21-13)8-4-3-6-20-8/h2-4,6-7H,1,5H2
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50273986
PNG
(4-(4-Butyryl-2-methoxyphenoxy)piperidine-1-carboxy...)
Show SMILES CCCC(=O)c1ccc(OC2CCN(CC2)C(=O)OC(C)(C)C)c(OC)c1
Show InChI InChI=1S/C21H31NO5/c1-6-7-17(23)15-8-9-18(19(14-15)25-5)26-16-10-12-22(13-11-16)20(24)27-21(2,3)4/h8-9,14,16H,6-7,10-13H2,1-5H3
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336534
PNG
(CHEMBL1673329 | N'-(6-tert-butylthieno[3,2-d]pyrim...)
Show SMILES CC(C)(C)c1cc2ncnc(NNC(=O)c3cccs3)c2s1
Show InChI InChI=1S/C15H16N4OS2/c1-15(2,3)11-7-9-12(22-11)13(17-8-16-9)18-19-14(20)10-5-4-6-21-10/h4-8H,1-3H3,(H,19,20)(H,16,17,18)
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50273988
PNG
(1-[3-Methoxy-4-(tetrahydrofuran-3-yloxy)phenyl]but...)
Show SMILES CCCC(=O)c1ccc(OC2CCOC2)c(OC)c1
Show InChI InChI=1S/C15H20O4/c1-3-4-13(16)11-5-6-14(15(9-11)17-2)19-12-7-8-18-10-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM39098
PNG
(2-(1,3-benzothiazol-2-ylmethyl)-1,1-bis(oxidanylid...)
Show SMILES O=C1N(Cc2nc3ccccc3s2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C15H10N2O3S2/c18-15-10-5-1-4-8-13(10)22(19,20)17(15)9-14-16-11-6-2-3-7-12(11)21-14/h1-8H,9H2
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50273547
PNG
(1-(3,4-Bisdifluoromethoxyphenyl)-2-cyclohexylethan...)
Show SMILES FC(F)Oc1ccc(cc1OC(F)F)C(=O)CC1CCCCC1
Show InChI InChI=1S/C16H18F4O3/c17-15(18)22-13-7-6-11(9-14(13)23-16(19)20)12(21)8-10-4-2-1-3-5-10/h6-7,9-10,15-16H,1-5,8H2
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50273543
PNG
(CHEMBL457662 | Cyclohexyl-1-[4-difluoromethoxy-3-(...)
Show SMILES FC(F)Oc1ccc(cc1OC1CCOC1)C(=O)CCC1CCCCC1
Show InChI InChI=1S/C20H26F2O4/c21-20(22)26-18-9-7-15(12-19(18)25-16-10-11-24-13-16)17(23)8-6-14-4-2-1-3-5-14/h7,9,12,14,16,20H,1-6,8,10-11,13H2
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n/an/a 5.30E+3n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50273331
PNG
(1-[3-Methoxy-4-(tetrahydrofuran-3-yloxy)phenyl]pen...)
Show SMILES CCCCC(=O)c1ccc(OC2CCOC2)c(OC)c1
Show InChI InChI=1S/C16H22O4/c1-3-4-5-14(17)12-6-7-15(16(10-12)18-2)20-13-8-9-19-11-13/h6-7,10,13H,3-5,8-9,11H2,1-2H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50273508
PNG
(2-Cyclohexyl-1-[4-methoxy-3-(tetrahydrofuran-3-ylo...)
Show SMILES COc1ccc(cc1OC1CCOC1)C(=O)CC1CCCCC1
Show InChI InChI=1S/C19H26O4/c1-21-18-8-7-15(12-19(18)23-16-9-10-22-13-16)17(20)11-14-5-3-2-4-6-14/h7-8,12,14,16H,2-6,9-11,13H2,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50273511
PNG
(1-[4-Difluoromethoxy-3-(tetrahydropyran-4-yloxy)ph...)
Show SMILES CCCC(=O)c1ccc(OC(F)F)c(OC2CCOCC2)c1
Show InChI InChI=1S/C16H20F2O4/c1-2-3-13(19)11-4-5-14(22-16(17)18)15(10-11)21-12-6-8-20-9-7-12/h4-5,10,12,16H,2-3,6-9H2,1H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336535
PNG
(CHEMBL1673330 | ethyl 2,5-dimethyl-6-(5-phenyl-4H-...)
Show SMILES CCOC(=O)c1nc(C)nc(Sc2nnc([nH]2)-c2ccccc2)c1C
Show InChI InChI=1S/C17H17N5O2S/c1-4-24-16(23)13-10(2)15(19-11(3)18-13)25-17-20-14(21-22-17)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,20,21,22)
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336536
PNG
(3-((furan-2-ylmethylsulfonyl)methyl)-5-(isoxazol-5...)
Show SMILES O=S(=O)(Cc1ccco1)Cc1noc(n1)-c1ccno1
Show InChI InChI=1S/C11H9N3O5S/c15-20(16,6-8-2-1-5-17-8)7-10-13-11(19-14-10)9-3-4-12-18-9/h1-5H,6-7H2
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336537
PNG
(CHEMBL1673331 | N-benzyl-5-(4-cyano-3-(methylthio)...)
Show SMILES CSc1noc(-c2ccc(s2)S(=O)(=O)NCc2ccccc2)c1C#N
Show InChI InChI=1S/C16H13N3O3S3/c1-23-16-12(9-17)15(22-19-16)13-7-8-14(24-13)25(20,21)18-10-11-5-3-2-4-6-11/h2-8,18H,10H2,1H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
BDBM50336538
PNG
(2-((2-(thiophen-2-yl)thiazol-4-yl)methyl)isoindoli...)
Show SMILES O=C1N(Cc2csc(n2)-c2cccs2)C(=O)c2ccccc12
Show InChI InChI=1S/C16H10N2O2S2/c19-15-11-4-1-2-5-12(11)16(20)18(15)8-10-9-22-14(17-10)13-6-3-7-21-13/h1-7,9H,8H2
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University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi Y PDEC after 30 mins


Antimicrob Agents Chemother 54: 3738-45 (2010)


Article DOI: 10.1128/AAC.00313-10
BindingDB Entry DOI: 10.7270/Q21V5F7Z
More data for this
Ligand-Target Pair
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