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Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'tuladhar' and Initial = 'r'   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218255
PNG
(CHEMBL290100)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23)
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n/an/a 1.60n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218257
PNG
(CHEMBL69874)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(=O)c1ccncc1
Show InChI InChI=1S/C21H13Cl2N3O4/c1-29-16-3-2-12(21(28)26-18-14(22)9-25-10-15(18)23)13-8-17(30-20(13)16)19(27)11-4-6-24-7-5-11/h2-10H,1H3,(H,25,26,28)
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n/an/a 2.40n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218258
PNG
(CHEMBL70146)
Show SMILES COc1ccc(C(=O)Nc2ccncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)15-7-11-10(3-4-14(23-2)16(11)24-15)17(22)20-13-5-6-19-8-12(13)18/h3-8H,1-2H3,(H,19,20,22)
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n/an/a 6.30n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218245
PNG
(CHEMBL65799)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C#N
Show InChI InChI=1S/C16H9Cl2N3O3/c1-23-13-3-2-9(10-4-8(5-19)24-15(10)13)16(22)21-14-11(17)6-20-7-12(14)18/h2-4,6-7H,1H3,(H,20,21,22)
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n/an/a 6.5n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218245
PNG
(CHEMBL65799)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C#N
Show InChI InChI=1S/C16H9Cl2N3O3/c1-23-13-3-2-9(10-4-8(5-19)24-15(10)13)16(22)21-14-11(17)6-20-7-12(14)18/h2-4,6-7H,1H3,(H,20,21,22)
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n/an/a 6.80n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218257
PNG
(CHEMBL69874)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(=O)c1ccncc1
Show InChI InChI=1S/C21H13Cl2N3O4/c1-29-16-3-2-12(21(28)26-18-14(22)9-25-10-15(18)23)13-8-17(30-20(13)16)19(27)11-4-6-24-7-5-11/h2-10H,1H3,(H,25,26,28)
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n/an/a 8.10n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218246
PNG
(CHEMBL68323)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)O
Show InChI InChI=1S/C17H14Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-8,22H,1-2H3,(H,20,21,23)
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n/an/a 8.60n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218249
PNG
(CHEMBL304051)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(CC(C)(C)C)oc12
Show InChI InChI=1S/C20H20Cl2N2O3/c1-20(2,3)8-11-7-13-12(5-6-16(26-4)18(13)27-11)19(25)24-17-14(21)9-23-10-15(17)22/h5-7,9-10H,8H2,1-4H3,(H,23,24,25)
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n/an/a 17n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218246
PNG
(CHEMBL68323)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)O
Show InChI InChI=1S/C17H14Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-8,22H,1-2H3,(H,20,21,23)
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n/an/a 19n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
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 20n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218259
PNG
(CHEMBL67898)
Show SMILES CCc1cc2c(ccc(OC)c2o1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2N2O3/c1-3-9-6-11-10(4-5-14(23-2)16(11)24-9)17(22)21-15-12(18)7-20-8-13(15)19/h4-8H,3H2,1-2H3,(H,20,21,22)
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n/an/a 23n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218259
PNG
(CHEMBL67898)
Show SMILES CCc1cc2c(ccc(OC)c2o1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2N2O3/c1-3-9-6-11-10(4-5-14(23-2)16(11)24-9)17(22)21-15-12(18)7-20-8-13(15)19/h4-8H,3H2,1-2H3,(H,20,21,22)
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n/an/a 27n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218258
PNG
(CHEMBL70146)
Show SMILES COc1ccc(C(=O)Nc2ccncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)15-7-11-10(3-4-14(23-2)16(11)24-15)17(22)20-13-5-6-19-8-12(13)18/h3-8H,1-2H3,(H,19,20,22)
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n/an/a 32n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218255
PNG
(CHEMBL290100)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H12Cl2N2O4/c1-8(22)14-5-10-9(3-4-13(24-2)16(10)25-14)17(23)21-15-11(18)6-20-7-12(15)19/h3-7H,1-2H3,(H,20,21,23)
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n/an/a 43n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218248
PNG
(CHEMBL69776)
Show SMILES COc1ccc(C(=O)Nc2ccccc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C18H14ClNO4/c1-10(21)16-9-12-11(7-8-15(23-2)17(12)24-16)18(22)20-14-6-4-3-5-13(14)19/h3-9H,1-2H3,(H,20,22)
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n/an/a 54n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218244
PNG
(CHEMBL66233)
Show SMILES COc1ccc(C(=O)Nc2ncncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C16H12ClN3O4/c1-8(21)13-5-10-9(3-4-12(23-2)14(10)24-13)16(22)20-15-11(17)6-18-7-19-15/h3-7H,1-2H3,(H,18,19,20,22)
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n/an/a 60n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218249
PNG
(CHEMBL304051)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(CC(C)(C)C)oc12
Show InChI InChI=1S/C20H20Cl2N2O3/c1-20(2,3)8-11-7-13-12(5-6-16(26-4)18(13)27-11)19(25)24-17-14(21)9-23-10-15(17)22/h5-7,9-10H,8H2,1-4H3,(H,23,24,25)
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n/an/a 75n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218247
PNG
(CHEMBL66798)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cc(cc2Cl)C#N)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C19H12Cl2N2O4/c1-9(24)16-7-12-11(3-4-15(26-2)18(12)27-16)19(25)23-17-13(20)5-10(8-22)6-14(17)21/h3-7H,1-2H3,(H,23,25)
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Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218256
PNG
(CHEMBL70145)
Show SMILES COc1ccc(C(=O)Nc2ccncc2)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H14N2O4/c1-10(20)15-9-13-12(3-4-14(22-2)16(13)23-15)17(21)19-11-5-7-18-8-6-11/h3-9H,1-2H3,(H,18,19,21)
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n/an/a 120n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218250
PNG
(CHEMBL305176)
Show SMILES COc1ccc(C(=O)N(C)c2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C18H14Cl2N2O4/c1-9(23)15-6-11-10(4-5-14(25-3)17(11)26-15)18(24)22(2)16-12(19)7-21-8-13(16)20/h4-8H,1-3H3
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n/an/a 150n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218254
PNG
(CHEMBL302799)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c(C)c(oc12)C(C)=O
Show InChI InChI=1S/C18H14Cl2N2O4/c1-8-14-10(18(24)22-15-11(19)6-21-7-12(15)20)4-5-13(25-3)17(14)26-16(8)9(2)23/h4-7H,1-3H3,(H,21,22,24)
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n/an/a 160n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218244
PNG
(CHEMBL66233)
Show SMILES COc1ccc(C(=O)Nc2ncncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C16H12ClN3O4/c1-8(21)13-5-10-9(3-4-12(23-2)14(10)24-13)16(22)20-15-11(17)6-18-7-19-15/h3-7H,1-2H3,(H,18,19,20,22)
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n/an/a 164n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218253
PNG
(CHEMBL70090)
Show SMILES COc1ccc(C(=O)Nc2cccnc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)14-8-11-10(5-6-13(23-2)15(11)24-14)17(22)20-12-4-3-7-19-16(12)18/h3-8H,1-2H3,(H,20,22)
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n/an/a 199n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218247
PNG
(CHEMBL66798)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cc(cc2Cl)C#N)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C19H12Cl2N2O4/c1-9(24)16-7-12-11(3-4-15(26-2)18(12)27-16)19(25)23-17-13(20)5-10(8-22)6-14(17)21/h3-7H,1-2H3,(H,23,25)
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n/an/a 228n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218248
PNG
(CHEMBL69776)
Show SMILES COc1ccc(C(=O)Nc2ccccc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C18H14ClNO4/c1-10(21)16-9-12-11(7-8-15(23-2)17(12)24-16)18(22)20-14-6-4-3-5-13(14)19/h3-9H,1-2H3,(H,20,22)
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n/an/a 248n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218256
PNG
(CHEMBL70145)
Show SMILES COc1ccc(C(=O)Nc2ccncc2)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H14N2O4/c1-10(20)15-9-13-12(3-4-14(22-2)16(13)23-15)17(21)19-11-5-7-18-8-6-11/h3-9H,1-2H3,(H,18,19,21)
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n/an/a 250n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218254
PNG
(CHEMBL302799)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c(C)c(oc12)C(C)=O
Show InChI InChI=1S/C18H14Cl2N2O4/c1-8-14-10(18(24)22-15-11(19)6-21-7-12(15)20)4-5-13(25-3)17(14)26-16(8)9(2)23/h4-7H,1-3H3,(H,21,22,24)
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n/an/a 320n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218250
PNG
(CHEMBL305176)
Show SMILES COc1ccc(C(=O)N(C)c2c(Cl)cncc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C18H14Cl2N2O4/c1-9(23)15-6-11-10(4-5-14(25-3)17(11)26-15)18(24)22(2)16-12(19)7-21-8-13(16)20/h4-8H,1-3H3
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n/an/a 330n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218251
PNG
(CHEMBL66285)
Show SMILES COc1ccc(C(=O)Nc2ncccc2C)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C18H16N2O4/c1-10-5-4-8-19-17(10)20-18(22)12-6-7-14(23-3)16-13(12)9-15(24-16)11(2)21/h4-9H,1-3H3,(H,19,20,22)
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n/an/a 452n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218252
PNG
(CHEMBL308456)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(O)=O
Show InChI InChI=1S/C16H10Cl2N2O5/c1-24-11-3-2-7(8-4-12(16(22)23)25-14(8)11)15(21)20-13-9(17)5-19-6-10(13)18/h2-6H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 770n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50218253
PNG
(CHEMBL70090)
Show SMILES COc1ccc(C(=O)Nc2cccnc2Cl)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C17H13ClN2O4/c1-9(21)14-8-11-10(5-6-13(23-2)15(11)24-14)17(22)20-12-4-3-7-19-16(12)18/h3-8H,1-2H3,(H,20,22)
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n/an/a 875n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218252
PNG
(CHEMBL308456)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(oc12)C(O)=O
Show InChI InChI=1S/C16H10Cl2N2O5/c1-24-11-3-2-7(8-4-12(16(22)23)25-14(8)11)15(21)20-13-9(17)5-19-6-10(13)18/h2-6H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to rat brain tissue at 20 uM


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50218251
PNG
(CHEMBL66285)
Show SMILES COc1ccc(C(=O)Nc2ncccc2C)c2cc(oc12)C(C)=O
Show InChI InChI=1S/C18H16N2O4/c1-10-5-4-8-19-17(10)20-18(22)12-6-7-14(23-3)16-13(12)9-15(24-16)11(2)21/h4-9H,1-3H3,(H,19,20,22)
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n/an/a 1.85E+3n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding in rat brain tissue


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
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 3.50E+3n/an/an/an/an/an/a



Celltech-Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 4 from human U937 cells


Bioorg Med Chem Lett 10: 2137-40 (2000)


BindingDB Entry DOI: 10.7270/Q2NP26MQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50427998
PNG
(CHEMBL2322630)
Show SMILES COc1ccc2nc(NC(=O)CNC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)sc2c1
Show InChI InChI=1S/C25H19N5O4S/c1-34-16-11-12-19-20(13-16)35-25(27-19)28-21(31)14-26-23(32)22-17-9-5-6-10-18(17)24(33)30(29-22)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,26,32)(H,27,28,31)
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n/an/an/an/a 210n/an/an/an/a



The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50427999
PNG
(CHEMBL2322629)
Show SMILES O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ncc(cn1)-c1ccco1
Show InChI InChI=1S/C22H17N5O3S2/c28-18(26-21-23-11-14(12-24-21)17-7-4-9-30-17)13-32-22-25-16-8-10-31-19(16)20(29)27(22)15-5-2-1-3-6-15/h1-7,9,11-12H,8,10,13H2,(H,23,24,26,28)
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n/an/an/an/a 3.5n/an/an/an/a



The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50428000
PNG
(CHEMBL2322628)
Show SMILES O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ncc(cn1)-c1ccoc1
Show InChI InChI=1S/C22H17N5O3S2/c28-18(26-21-23-10-15(11-24-21)14-6-8-30-12-14)13-32-22-25-17-7-9-31-19(17)20(29)27(22)16-4-2-1-3-5-16/h1-6,8,10-12H,7,9,13H2,(H,23,24,26,28)
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n/an/an/an/a 1.5n/an/an/an/a



The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50428001
PNG
(CHEMBL2322627)
Show SMILES O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1cccs1
Show InChI InChI=1S/C23H18N4O2S3/c28-20(26-19-9-8-15(13-24-19)18-7-4-11-30-18)14-32-23-25-17-10-12-31-21(17)22(29)27(23)16-5-2-1-3-6-16/h1-9,11,13H,10,12,14H2,(H,24,26,28)
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n/an/an/an/a 0.300n/an/an/an/a



The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50428002
PNG
(CHEMBL2322626)
Show SMILES O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1ccsc1
Show InChI InChI=1S/C23H18N4O2S3/c28-20(26-19-7-6-15(12-24-19)16-8-10-30-13-16)14-32-23-25-18-9-11-31-21(18)22(29)27(23)17-4-2-1-3-5-17/h1-8,10,12-13H,9,11,14H2,(H,24,26,28)
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n/an/an/an/a 2n/an/an/an/a



The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50428003
PNG
(CHEMBL2322625)
Show SMILES O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1ccco1
Show InChI InChI=1S/C23H18N4O3S2/c28-20(26-19-9-8-15(13-24-19)18-7-4-11-30-18)14-32-23-25-17-10-12-31-21(17)22(29)27(23)16-5-2-1-3-6-16/h1-9,11,13H,10,12,14H2,(H,24,26,28)
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n/an/an/an/a 3.5n/an/an/an/a



The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50428004
PNG
(CHEMBL2322624)
Show SMILES O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1ccoc1
Show InChI InChI=1S/C23H18N4O3S2/c28-20(26-19-7-6-15(12-24-19)16-8-10-30-13-16)14-32-23-25-18-9-11-31-21(18)22(29)27(23)17-4-2-1-3-5-17/h1-8,10,12-13H,9,11,14H2,(H,24,26,28)
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The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50428005
PNG
(CHEMBL2322623)
Show SMILES O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1cncnc1
Show InChI InChI=1S/C23H18N6O2S2/c30-20(28-19-7-6-15(12-26-19)16-10-24-14-25-11-16)13-33-23-27-18-8-9-32-21(18)22(31)29(23)17-4-2-1-3-5-17/h1-7,10-12,14H,8-9,13H2,(H,26,28,30)
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n/an/an/an/a 5.5n/an/an/an/a



The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50428006
PNG
(CHEMBL2323233)
Show SMILES O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1cccnc1
Show InChI InChI=1S/C24H19N5O2S2/c30-21(28-20-9-8-17(14-26-20)16-5-4-11-25-13-16)15-33-24-27-19-10-12-32-22(19)23(31)29(24)18-6-2-1-3-7-18/h1-9,11,13-14H,10,12,15H2,(H,26,28,30)
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n/an/an/an/a 1n/an/an/an/a



The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50428007
PNG
(CHEMBL2323232)
Show SMILES O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ncc(cn1)-c1ccccc1
Show InChI InChI=1S/C24H19N5O2S2/c30-20(28-23-25-13-17(14-26-23)16-7-3-1-4-8-16)15-33-24-27-19-11-12-32-21(19)22(31)29(24)18-9-5-2-6-10-18/h1-10,13-14H,11-12,15H2,(H,25,26,28,30)
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n/an/an/an/a 15n/an/an/an/a



The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50428008
PNG
(CHEMBL2323231)
Show SMILES O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cn1)-c1ccccc1
Show InChI InChI=1S/C25H20N4O2S2/c30-22(28-21-12-11-18(15-26-21)17-7-3-1-4-8-17)16-33-25-27-20-13-14-32-23(20)24(31)29(25)19-9-5-2-6-10-19/h1-12,15H,13-14,16H2,(H,26,28,30)
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n/an/an/an/a 0.5n/an/an/an/a



The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50428009
PNG
(CHEMBL2323230)
Show SMILES O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C25H20N4O2S2/c30-22(27-18-11-12-20(26-15-18)17-7-3-1-4-8-17)16-33-25-28-21-13-14-32-23(21)24(31)29(25)19-9-5-2-6-10-19/h1-12,15H,13-14,16H2,(H,27,30)
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n/an/an/an/a 0.300n/an/an/an/a



The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50428010
PNG
(CHEMBL2323229)
Show SMILES O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C25H20N4O2S2/c30-22(27-19-8-6-17(7-9-19)18-10-13-26-14-11-18)16-33-25-28-21-12-15-32-23(21)24(31)29(25)20-4-2-1-3-5-20/h1-11,13-14H,12,15-16H2,(H,27,30)
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n/an/an/an/a 3n/an/an/an/a



The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50428011
PNG
(CHEMBL2323228)
Show SMILES O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C25H20N4O2S2/c30-22(27-19-10-8-17(9-11-19)18-5-4-13-26-15-18)16-33-25-28-21-12-14-32-23(21)24(31)29(25)20-6-2-1-3-7-20/h1-11,13,15H,12,14,16H2,(H,27,30)
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n/an/an/an/a 0.450n/an/an/an/a



The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50428012
PNG
(CHEMBL2322635)
Show SMILES O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C25H20N4O2S2/c30-22(27-18-11-9-17(10-12-18)20-8-4-5-14-26-20)16-33-25-28-21-13-15-32-23(21)24(31)29(25)19-6-2-1-3-7-19/h1-12,14H,13,15-16H2,(H,27,30)
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n/an/an/an/a 4n/an/an/an/a



The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair
Protein-serine O-palmitoleoyltransferase porcupine


(Mus musculus)
BDBM50428013
PNG
(CHEMBL2322634)
Show SMILES O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C26H21N3O2S2/c30-23(27-21-14-8-7-13-20(21)18-9-3-1-4-10-18)17-33-26-28-22-15-16-32-24(22)25(31)29(26)19-11-5-2-6-12-19/h1-14H,15-17H2,(H,27,30)
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n/an/an/an/a>5.00E+3n/an/an/an/a



The University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of porcupine-mediated Wnt signalling in mouse L cells after 24 hrs by SpringerImages-Topflash reporter assay


J Med Chem 56: 2700-4 (2013)


Article DOI: 10.1021/jm400159c
BindingDB Entry DOI: 10.7270/Q2TD9ZP5
More data for this
Ligand-Target Pair
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