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PubMed code 8568809

Compile data set for download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
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
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048928
PNG
(4-(2,4-Dioxo-1-propyl-1,4-dihydro-2H-pteridin-3-yl...)
Show SMILES CCCn1c2nccnc2c(=O)n(CCCC(=O)OCC)c1=O
Show InChI InChI=1S/C15H20N4O4/c1-3-9-18-13-12(16-7-8-17-13)14(21)19(15(18)22)10-5-6-11(20)23-4-2/h7-8H,3-6,9-10H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048929
PNG
(4-(7-Methyl-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-...)
Show SMILES CCCn1c2ncn(C)c2c(=O)n(CCCC(=O)OCC)c1=O
Show InChI InChI=1S/C15H22N4O4/c1-4-8-18-13-12(17(3)10-16-13)14(21)19(15(18)22)9-6-7-11(20)23-5-2/h10H,4-9H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048933
PNG
(4-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin...)
Show SMILES CCOC(=O)CCCn1c(=O)n(C)c2ncn(C)c2c1=O
Show InChI InChI=1S/C13H18N4O4/c1-4-21-9(18)6-5-7-17-12(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 6.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048931
PNG
(3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin...)
Show SMILES CCOC(=O)CCn1c(=O)n(C)c2ncn(C)c2c1=O
Show InChI InChI=1S/C12H16N4O4/c1-4-20-8(17)5-6-16-11(18)9-10(13-7-14(9)2)15(3)12(16)19/h7H,4-6H2,1-3H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048924
PNG
(5-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin...)
Show SMILES CCOC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O
Show InChI InChI=1S/C14H20N4O4/c1-4-22-10(19)7-5-6-8-18-13(20)11-12(15-9-16(11)2)17(3)14(18)21/h9H,4-8H2,1-3H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048943
PNG
(4-(1-Methyl-2,4-dioxo-1,4-dihydro-2H-pteridin-3-yl...)
Show SMILES CCOC(=O)CCCn1c(=O)n(C)c2nccnc2c1=O
Show InChI InChI=1S/C13H16N4O4/c1-3-21-9(18)5-4-8-17-12(19)10-11(15-7-6-14-10)16(2)13(17)20/h6-7H,3-5,8H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(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 1.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048925
PNG
(4-(1-Butyl-2,4-dioxo-1,4-dihydro-2H-pteridin-3-yl)...)
Show SMILES CCCCn1c2nccnc2c(=O)n(CCCC(=O)OCC)c1=O
Show InChI InChI=1S/C16H22N4O4/c1-3-5-10-19-14-13(17-8-9-18-14)15(22)20(16(19)23)11-6-7-12(21)24-4-2/h8-9H,3-7,10-11H2,1-2H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048932
PNG
(4-(2,4-Dioxo-1-pentyl-1,4-dihydro-2H-pteridin-3-yl...)
Show SMILES CCCCCn1c2nccnc2c(=O)n(CCCC(=O)OCC)c1=O
Show InChI InChI=1S/C17H24N4O4/c1-3-5-6-11-20-15-14(18-9-10-19-15)16(23)21(17(20)24)12-7-8-13(22)25-4-2/h9-10H,3-8,11-12H2,1-2H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048935
PNG
(4-(5,7-Dioxo-4-propyl-4,5-dihydro-7H-[1,2,5]thiadi...)
Show SMILES CCCn1c2nsnc2c(=O)n(CCCC(=O)OCC)c1=O
Show InChI InChI=1S/C13H18N4O4S/c1-3-7-16-11-10(14-22-15-11)12(19)17(13(16)20)8-5-6-9(18)21-4-2/h3-8H2,1-2H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048920
PNG
(4-[2,4-Dioxo-1-(tetrahydro-furan-3-yl)-1,4-dihydro...)
Show SMILES CCOC(=O)CCCn1c(=O)n(C2CCOC2)c2nccnc2c1=O
Show InChI InChI=1S/C16H20N4O5/c1-2-25-12(21)4-3-8-19-15(22)13-14(18-7-6-17-13)20(16(19)23)11-5-9-24-10-11/h6-7,11H,2-5,8-10H2,1H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048948
PNG
(4-(1-Isobutyl-2,4-dioxo-1,4-dihydro-2H-pteridin-3-...)
Show SMILES CCOC(=O)CCCn1c(=O)n(CC(C)C)c2nccnc2c1=O
Show InChI InChI=1S/C16H22N4O4/c1-4-24-12(21)6-5-9-19-15(22)13-14(18-8-7-17-13)20(16(19)23)10-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048938
PNG
((Z)-4-(1-Methyl-2,4-dioxo-1,4-dihydro-2H-pteridin-...)
Show SMILES COC(=O)\C=C/Cn1c(=O)n(C)c2nccnc2c1=O
Show InChI InChI=1S/C12H12N4O4/c1-15-10-9(13-5-6-14-10)11(18)16(12(15)19)7-3-4-8(17)20-2/h3-6H,7H2,1-2H3/b4-3-
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048942
PNG
(4-(4-Methyl-5,7-dioxo-4,5-dihydro-7H-[1,2,5]thiadi...)
Show SMILES CCOC(=O)CCCn1c(=O)n(C)c2nsnc2c1=O
Show InChI InChI=1S/C11H14N4O4S/c1-3-19-7(16)5-4-6-15-10(17)8-9(13-20-12-8)14(2)11(15)18/h3-6H2,1-2H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048940
PNG
(1-Hexyl-8-hydroxy-3-methyl-3,7,8,9-tetrahydro-puri...)
Show SMILES CCCCCCn1c(=O)c2NC(O)Nc2n(C)c1=O
Show InChI InChI=1S/C12H20N4O3/c1-3-4-5-6-7-16-10(17)8-9(14-11(18)13-8)15(2)12(16)19/h11,13-14,18H,3-7H2,1-2H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048939
PNG
(4-(1-Methyl-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-...)
Show SMILES CCOC(=O)CCCn1c(=O)n(C)c2ccccc2c1=O
Show InChI InChI=1S/C15H18N2O4/c1-3-21-13(18)9-6-10-17-14(19)11-7-4-5-8-12(11)16(2)15(17)20/h4-5,7-8H,3,6,9-10H2,1-2H3
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n/an/a 5.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048921
PNG
(4-(8-Bromo-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahyd...)
Show SMILES CCOC(=O)CCCn1c(=O)n(C)c2nc(Br)n(C)c2c1=O
Show InChI InChI=1S/C13H17BrN4O4/c1-4-22-8(19)6-5-7-18-11(20)9-10(17(3)13(18)21)15-12(14)16(9)2/h4-7H2,1-3H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048927
PNG
(6-Heptyl-4-methyl-4H-[1,2,5]thiadiazolo[3,4-d]pyri...)
Show SMILES CCCCCCCn1c(=O)n(C)c2nsnc2c1=O
Show InChI InChI=1S/C12H18N4O2S/c1-3-4-5-6-7-8-16-11(17)9-10(14-19-13-9)15(2)12(16)18/h3-8H2,1-2H3
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n/an/a 7.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
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 8.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048945
PNG
(4-(8-Mercapto-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetra...)
Show SMILES CCOC(=O)CCCn1c(=O)n(C)c2[nH]c(=S)n(C)c2c1=O
Show InChI InChI=1S/C13H18N4O4S/c1-4-21-8(18)6-5-7-17-11(19)9-10(16(3)13(17)20)14-12(22)15(9)2/h4-7H2,1-3H3,(H,14,22)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048922
PNG
(4-(6,7-Diethyl-1-methyl-2,4-dioxo-1,4-dihydro-2H-p...)
Show SMILES CCOC(=O)CCCn1c(=O)n(C)c2nc(CC)c(CC)nc2c1=O
Show InChI InChI=1S/C17H24N4O4/c1-5-11-12(6-2)19-15-14(18-11)16(23)21(17(24)20(15)4)10-8-9-13(22)25-7-3/h5-10H2,1-4H3
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n/an/a 1.30E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048934
PNG
(4-(1-Benzyl-2,4-dioxo-1,4-dihydro-2H-pteridin-3-yl...)
Show SMILES CCOC(=O)CCCn1c(=O)n(Cc2ccccc2)c2nccnc2c1=O
Show InChI InChI=1S/C19H20N4O4/c1-2-27-15(24)9-6-12-22-18(25)16-17(21-11-10-20-16)23(19(22)26)13-14-7-4-3-5-8-14/h3-5,7-8,10-11H,2,6,9,12-13H2,1H3
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n/an/a 1.75E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048937
PNG
(4-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin...)
Show SMILES COC(=O)c1ccc(Cn2c(=O)n(C)c3ncn(C)c3c2=O)cc1
Show InChI InChI=1S/C16H16N4O4/c1-18-9-17-13-12(18)14(21)20(16(23)19(13)2)8-10-4-6-11(7-5-10)15(22)24-3/h4-7,9H,8H2,1-3H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048923
PNG
(4-(1-Methyl-2,4-dioxo-1,4-dihydro-2H-quinazolin-3-...)
Show SMILES Cn1c2ccccc2c(=O)n(CCCC(O)=O)c1=O
Show InChI InChI=1S/C13H14N2O4/c1-14-10-6-3-2-5-9(10)12(18)15(13(14)19)8-4-7-11(16)17/h2-3,5-6H,4,7-8H2,1H3,(H,16,17)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048941
PNG
((3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-purin-1...)
Show SMILES CCOC(=O)Cn1c(=O)n(C)c2ncn(C)c2c1=O
Show InChI InChI=1S/C11H14N4O4/c1-4-19-7(16)5-15-10(17)8-9(12-6-13(8)2)14(3)11(15)18/h6H,4-5H2,1-3H3
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n/an/a 2.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048926
PNG
(8-Mercapto-3-methyl-3,7-dihydro-purine-2,6-dione |...)
Show SMILES Cn1c2[nH]c(=S)[nH]c2c(=O)[nH]c1=O
Show InChI InChI=1S/C6H6N4O2S/c1-10-3-2(7-5(13)8-3)4(11)9-6(10)12/h1H3,(H2,7,8,13)(H,9,11,12)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048936
PNG
(1-[4-Carboxypropyl]-3,7-Dimethylxanthine (Metaboli...)
Show SMILES Cn1cnc2n(C)c(=O)n(CCCC(O)=O)c(=O)c12
Show InChI InChI=1S/C11H14N4O4/c1-13-6-12-9-8(13)10(18)15(11(19)14(9)2)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048947
PNG
(4-(2,4-Dioxo-1-propyl-1,4-dihydro-2H-pteridin-3-yl...)
Show SMILES CCCn1c2nccnc2c(=O)n(CCCC(O)=O)c1=O
Show InChI InChI=1S/C13H16N4O4/c1-2-7-16-11-10(14-5-6-15-11)12(20)17(13(16)21)8-3-4-9(18)19/h5-6H,2-4,7-8H2,1H3,(H,18,19)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048949
PNG
(4-(1-Methyl-2,4-dioxo-6-phenyl-1,4-dihydro-2H-pter...)
Show SMILES CCOC(=O)CCCn1c(=O)n(C)c2ncc(nc2c1=O)-c1ccccc1
Show InChI InChI=1S/C19H20N4O4/c1-3-27-15(24)10-7-11-23-18(25)16-17(22(2)19(23)26)20-12-14(21-16)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048946
PNG
(4-(4-Methyl-5,7-dioxo-4,5-dihydro-7H-[1,2,5]thiadi...)
Show SMILES Cn1c2nsnc2c(=O)n(CCCC(O)=O)c1=O
Show InChI InChI=1S/C9H10N4O4S/c1-12-7-6(10-18-11-7)8(16)13(9(12)17)4-2-3-5(14)15/h2-4H2,1H3,(H,14,15)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048950
PNG
(4-(8-Mercapto-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetra...)
Show SMILES CCOC(=O)c1ccc(Cn2c(=O)n(C)c3[nH]c(=S)n(C)c3c2=O)cc1
Show InChI InChI=1S/C17H18N4O4S/c1-4-25-15(23)11-7-5-10(6-8-11)9-21-14(22)12-13(20(3)17(21)24)18-16(26)19(12)2/h5-8H,4,9H2,1-3H3,(H,18,26)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048944
PNG
(4-(1-Methyl-2,4-dioxo-1,4-dihydro-2H-pteridin-3-yl...)
Show SMILES Cn1c2nccnc2c(=O)n(CCCC(O)=O)c1=O
Show InChI InChI=1S/C11H12N4O4/c1-14-9-8(12-4-5-13-9)10(18)15(11(14)19)6-2-3-7(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50048930
PNG
(4-(8-Bromo-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahyd...)
Show SMILES COC(=O)c1ccc(Cn2c(=O)n(C)c3nc(Br)n(C)c3c2=O)cc1
Show InChI InChI=1S/C16H15BrN4O4/c1-19-11-12(18-15(19)17)20(2)16(24)21(13(11)22)8-9-4-6-10(7-5-9)14(23)25-3/h4-7H,8H2,1-3H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)


Article DOI: 10.1021/jm940845j
BindingDB Entry DOI: 10.7270/Q29S1Q46
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%