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PubMed code 10508435

Compile data set for download or QSAR
Found 61 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))
BDBM50081323
PNG
(4-(4-Bromo-6,7-dihydroxy-1-oxo-1H-isoquinolin-2-yl...)
Show SMILES CCOC(=O)CCCn1cc(Br)c2cc(O)c(O)cc2c1=O
Show InChI InChI=1S/C15H16BrNO5/c1-2-22-14(20)4-3-5-17-8-11(16)9-6-12(18)13(19)7-10(9)15(17)21/h6-8,18-19H,2-5H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081305
PNG
(4-(6,7-Dihydroxy-1-oxo-1H-isoquinolin-2-yl)-butyri...)
Show SMILES CCOC(=O)CCCn1ccc2cc(O)c(O)cc2c1=O
Show InChI InChI=1S/C15H17NO5/c1-2-21-14(19)4-3-6-16-7-5-10-8-12(17)13(18)9-11(10)15(16)20/h5,7-9,17-18H,2-4,6H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081327
PNG
(4-(6,7-Dimethoxy-4-oxo-4H-quinazolin-3-yl)-butyric...)
Show SMILES CCOC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C16H20N2O5/c1-4-23-15(19)6-5-7-18-10-17-12-9-14(22-3)13(21-2)8-11(12)16(18)20/h8-10H,4-7H2,1-3H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
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 3.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081304
PNG
(4-(6-Amino-4-oxo-4H-quinazolin-3-yl)-butyric acid ...)
Show SMILES CCOC(=O)CCCn1cnc2ccc(N)cc2c1=O
Show InChI InChI=1S/C14H17N3O3/c1-2-20-13(18)4-3-7-17-9-16-12-6-5-10(15)8-11(12)14(17)19/h5-6,8-9H,2-4,7,15H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081326
PNG
(4-(1-Oxo-1H-isoquinolin-2-yl)-butyric acid ethyl e...)
Show SMILES CCOC(=O)CCCn1ccc2ccccc2c1=O
Show InChI InChI=1S/C15H17NO3/c1-2-19-14(17)8-5-10-16-11-9-12-6-3-4-7-13(12)15(16)18/h3-4,6-7,9,11H,2,5,8,10H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081354
PNG
(4-(7-Amino-4-oxo-1,4-dihydro-2H-quinazolin-3-yl)-b...)
Show SMILES CCOC(=O)CCCN1CNc2cc(N)ccc2C1=O
Show InChI InChI=1S/C14H19N3O3/c1-2-20-13(18)4-3-7-17-9-16-12-8-10(15)5-6-11(12)14(17)19/h5-6,8,16H,2-4,7,9,15H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081306
PNG
(4-(4-Cyano-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-yl...)
Show SMILES CCOC(=O)CCCn1cc(C#N)c2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C18H20N2O5/c1-4-25-17(21)6-5-7-20-11-12(10-19)13-8-15(23-2)16(24-3)9-14(13)18(20)22/h8-9,11H,4-7H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081335
PNG
(4-(6,7-Dimethoxy-1-oxo-1H-isoquinolin-2-yl)-butyri...)
Show SMILES CCOC(=O)CCCn1ccc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C17H21NO5/c1-4-23-16(19)6-5-8-18-9-7-12-10-14(21-2)15(22-3)11-13(12)17(18)20/h7,9-11H,4-6,8H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081303
PNG
(5-(6,7-Dimethoxy-4-oxo-4H-quinazolin-3-yl)-pentano...)
Show SMILES CCOC(=O)CCCCn1cnc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C17H22N2O5/c1-4-24-16(20)7-5-6-8-19-11-18-13-10-15(23-3)14(22-2)9-12(13)17(19)21/h9-11H,4-8H2,1-3H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081343
PNG
(4-(7-Amino-4-oxo-4H-quinazolin-3-yl)-butyric acid ...)
Show SMILES CCOC(=O)CCCn1cnc2cc(N)ccc2c1=O
Show InChI InChI=1S/C14H17N3O3/c1-2-20-13(18)4-3-7-17-9-16-12-8-10(15)5-6-11(12)14(17)19/h5-6,8-9H,2-4,7,15H2,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081351
PNG
(3-(6,7-Dimethoxy-4-oxo-4H-quinazolin-3-yl)-propion...)
Show SMILES CCOC(=O)CCn1cnc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C15H18N2O5/c1-4-22-14(18)5-6-17-9-16-11-8-13(21-3)12(20-2)7-10(11)15(17)19/h7-9H,4-6H2,1-3H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081333
PNG
(4-(6,7-Diacetoxy-1-oxo-1H-isoquinolin-2-yl)-butyri...)
Show SMILES CCOC(=O)CCCn1ccc2cc(OC(C)=O)c(OC(C)=O)cc2c1=O
Show InChI InChI=1S/C19H21NO7/c1-4-25-18(23)6-5-8-20-9-7-14-10-16(26-12(2)21)17(27-13(3)22)11-15(14)19(20)24/h7,9-11H,4-6,8H2,1-3H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081310
PNG
(4-(6,7-Dimethoxy-1-oxo-1H-isoquinolin-2-yl)-butyri...)
Show SMILES COc1cc2ccn(CCCC(=O)OCCN3CCOCC3)c(=O)c2cc1OC
Show InChI InChI=1S/C21H28N2O6/c1-26-18-14-16-5-7-23(21(25)17(16)15-19(18)27-2)6-3-4-20(24)29-13-10-22-8-11-28-12-9-22/h5,7,14-15H,3-4,6,8-13H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081314
PNG
(4-(6-Amino-4-oxo-1,4-dihydro-2H-quinazolin-3-yl)-b...)
Show SMILES CCOC(=O)CCCN1CNc2ccc(N)cc2C1=O
Show InChI InChI=1S/C14H19N3O3/c1-2-20-13(18)4-3-7-17-9-16-12-6-5-10(15)8-11(12)14(17)19/h5-6,8,16H,2-4,7,9,15H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081352
PNG
(4-(6,7-Dimethoxy-5-nitro-4-oxo-4H-quinazolin-3-yl)...)
Show SMILES CCOC(=O)CCCn1cnc2cc(OC)c(OC)c([N+]([O-])=O)c2c1=O
Show InChI InChI=1S/C16H19N3O7/c1-4-26-12(20)6-5-7-18-9-17-10-8-11(24-2)15(25-3)14(19(22)23)13(10)16(18)21/h8-9H,4-7H2,1-3H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081330
PNG
(4-(6,7-Bis-ethoxycarbonyloxy-1-oxo-1H-isoquinolin-...)
Show SMILES CCOC(=O)CCCn1ccc2cc(OC(=O)OCC)c(OC(=O)OCC)cc2c1=O
Show InChI InChI=1S/C21H25NO9/c1-4-27-18(23)8-7-10-22-11-9-14-12-16(30-20(25)28-5-2)17(13-15(14)19(22)24)31-21(26)29-6-3/h9,11-13H,4-8,10H2,1-3H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081353
PNG
(4-(4-Aminomethyl-6,7-dimethoxy-1-oxo-1H-isoquinoli...)
Show SMILES CCOC(=O)CCCn1cc(CN)c2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C18H24N2O5/c1-4-25-17(21)6-5-7-20-11-12(10-19)13-8-15(23-2)16(24-3)9-14(13)18(20)22/h8-9,11H,4-7,10,19H2,1-3H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081355
PNG
(4-(2-Azido-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)...)
Show SMILES CCOC(=O)CCCn1c(N=[N+]=[N-])nc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C16H19N5O5/c1-4-26-14(22)6-5-7-21-15(23)10-8-12(24-2)13(25-3)9-11(10)18-16(21)19-20-17/h8-9H,4-7H2,1-3H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081312
PNG
(4-(5-Amino-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)...)
Show SMILES CCOC(=O)CCCn1cnc2cc(OC)c(OC)c(N)c2c1=O
Show InChI InChI=1S/C16H21N3O5/c1-4-24-12(20)6-5-7-19-9-18-10-8-11(22-2)15(23-3)14(17)13(10)16(19)21/h8-9H,4-7,17H2,1-3H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081322
PNG
(4-(4-Acetyl-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-y...)
Show SMILES CCOC(=O)CCCn1cc(C(C)=O)c2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C19H23NO6/c1-5-26-18(22)7-6-8-20-11-15(12(2)21)13-9-16(24-3)17(25-4)10-14(13)19(20)23/h9-11H,5-8H2,1-4H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081328
PNG
(4-(4-Fluoro-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-y...)
Show SMILES CCOC(=O)CCCn1cc(F)c2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C17H20FNO5/c1-4-24-16(20)6-5-7-19-10-13(18)11-8-14(22-2)15(23-3)9-12(11)17(19)21/h8-10H,4-7H2,1-3H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081312
PNG
(4-(5-Amino-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)...)
Show SMILES CCOC(=O)CCCn1cnc2cc(OC)c(OC)c(N)c2c1=O
Show InChI InChI=1S/C16H21N3O5/c1-4-24-12(20)6-5-7-19-9-18-10-8-11(22-2)15(23-3)14(17)13(10)16(19)21/h8-9H,4-7,17H2,1-3H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081342
PNG
(5-(6,7-Dimethoxy-1-oxo-1H-isoquinolin-2-yl)-pentan...)
Show SMILES CCOC(=O)CCCCn1ccc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C18H23NO5/c1-4-24-17(20)7-5-6-9-19-10-8-13-11-15(22-2)16(23-3)12-14(13)18(19)21/h8,10-12H,4-7,9H2,1-3H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081319
PNG
(4-(5-Chloro-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl...)
Show SMILES CCOC(=O)CCCn1cnc2cc(OC)c(OC)c(Cl)c2c1=O
Show InChI InChI=1S/C16H19ClN2O5/c1-4-24-12(20)6-5-7-19-9-18-10-8-11(22-2)15(23-3)14(17)13(10)16(19)21/h8-9H,4-7H2,1-3H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081357
PNG
(4-(7-Chloro-4-oxo-4H-quinazolin-3-yl)-butyric acid...)
Show SMILES CCOC(=O)CCCn1cnc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C14H15ClN2O3/c1-2-20-13(18)4-3-7-17-9-16-12-8-10(15)5-6-11(12)14(17)19/h5-6,8-9H,2-4,7H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081331
PNG
(4-(7-Nitro-4-oxo-4H-quinazolin-3-yl)-butyric acid ...)
Show SMILES CCOC(=O)CCCn1cnc2cc(ccc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O5/c1-2-22-13(18)4-3-7-16-9-15-12-8-10(17(20)21)5-6-11(12)14(16)19/h5-6,8-9H,2-4,7H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081308
PNG
(4-(6,7-Dimethoxy-4-oxo-2-phenylamino-4H-quinazolin...)
Show SMILES CCOC(=O)CCCn1c(Nc2ccccc2)nc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C22H25N3O5/c1-4-30-20(26)11-8-12-25-21(27)16-13-18(28-2)19(29-3)14-17(16)24-22(25)23-15-9-6-5-7-10-15/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3,(H,23,24)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081347
PNG
(4-(6,7-Difluoro-4-oxo-4H-quinazolin-3-yl)-butyric ...)
Show SMILES CCOC(=O)CCCn1cnc2cc(F)c(F)cc2c1=O
Show InChI InChI=1S/C14H14F2N2O3/c1-2-21-13(19)4-3-5-18-8-17-12-7-11(16)10(15)6-9(12)14(18)20/h6-8H,2-5H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081325
PNG
(4-(6-Fluoro-4-oxo-4H-quinazolin-3-yl)-butyric acid...)
Show SMILES CCOC(=O)CCCn1cnc2ccc(F)cc2c1=O
Show InChI InChI=1S/C14H15FN2O3/c1-2-20-13(18)4-3-7-17-9-16-12-6-5-10(15)8-11(12)14(17)19/h5-6,8-9H,2-4,7H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081320
PNG
(4-(2-Amino-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)...)
Show SMILES CCOC(=O)CCCn1c(N)nc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C16H21N3O5/c1-4-24-14(20)6-5-7-19-15(21)10-8-12(22-2)13(23-3)9-11(10)18-16(19)17/h8-9H,4-7H2,1-3H3,(H2,17,18)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081324
PNG
(4-[2-(4-Bromo-phenylamino)-6,7-dimethoxy-quinazoli...)
Show SMILES CCOC(=O)CCCOc1nc(Nc2ccc(Br)cc2)nc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C22H24BrN3O5/c1-4-30-20(27)6-5-11-31-21-16-12-18(28-2)19(29-3)13-17(16)25-22(26-21)24-15-9-7-14(23)8-10-15/h7-10,12-13H,4-6,11H2,1-3H3,(H,24,25,26)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081358
PNG
(4-(6-Bromo-4-oxo-4H-quinazolin-3-yl)-butyric acid ...)
Show SMILES CCOC(=O)CCCn1cnc2ccc(Br)cc2c1=O
Show InChI InChI=1S/C14H15BrN2O3/c1-2-20-13(18)4-3-7-17-9-16-12-6-5-10(15)8-11(12)14(17)19/h5-6,8-9H,2-4,7H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081316
PNG
(4-(7-Fluoro-4-oxo-4H-quinazolin-3-yl)-butyric acid...)
Show SMILES CCOC(=O)CCCn1cnc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H15FN2O3/c1-2-20-13(18)4-3-7-17-9-16-12-8-10(15)5-6-11(12)14(17)19/h5-6,8-9H,2-4,7H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081340
PNG
(4-(4-Oxo-4H-quinazolin-3-yl)-butyric acid ethyl es...)
Show SMILES CCOC(=O)CCCn1cnc2ccccc2c1=O
Show InChI InChI=1S/C14H16N2O3/c1-2-19-13(17)8-5-9-16-10-15-12-7-4-3-6-11(12)14(16)18/h3-4,6-7,10H,2,5,8-9H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081332
PNG
(4-(5-Azido-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)...)
Show SMILES CCOC(=O)CCCn1cnc2cc(OC)c(OC)c(N=[N+]=[N-])c2c1=O
Show InChI InChI=1S/C16H19N5O5/c1-4-26-12(22)6-5-7-21-9-18-10-8-11(24-2)15(25-3)14(19-20-17)13(10)16(21)23/h8-9H,4-7H2,1-3H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081329
PNG
(4-(5-Chloro-4-oxo-4H-quinazolin-3-yl)-butyric acid...)
Show SMILES CCOC(=O)CCCn1cnc2cccc(Cl)c2c1=O
Show InChI InChI=1S/C14H15ClN2O3/c1-2-20-12(18)7-4-8-17-9-16-11-6-3-5-10(15)13(11)14(17)19/h3,5-6,9H,2,4,7-8H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081360
PNG
(4-(6,7-Dimethoxy-2-phenylamino-quinazolin-4-yloxy)...)
Show SMILES CCOC(=O)CCCOc1nc(Nc2ccccc2)nc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C22H25N3O5/c1-4-29-20(26)11-8-12-30-21-16-13-18(27-2)19(28-3)14-17(16)24-22(25-21)23-15-9-6-5-7-10-15/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3,(H,23,24,25)
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081309
PNG
(4-(6-Nitro-4-oxo-4H-quinazolin-3-yl)-butyric acid ...)
Show SMILES CCOC(=O)CCCn1cnc2ccc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O5/c1-2-22-13(18)4-3-7-16-9-15-12-6-5-10(17(20)21)8-11(12)14(16)19/h5-6,8-9H,2-4,7H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081321
PNG
(4-(6-Chloro-4-oxo-4H-quinazolin-3-yl)-butyric acid...)
Show SMILES CCOC(=O)CCCn1cnc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C14H15ClN2O3/c1-2-20-13(18)4-3-7-17-9-16-12-6-5-10(15)8-11(12)14(17)19/h5-6,8-9H,2-4,7H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081307
PNG
(4-(2-Dimethylamino-6,7-dimethoxy-quinazolin-4-ylox...)
Show SMILES CCOC(=O)CCCOc1nc(nc2cc(OC)c(OC)cc12)N(C)C
Show InChI InChI=1S/C18H25N3O5/c1-6-25-16(22)8-7-9-26-17-12-10-14(23-4)15(24-5)11-13(12)19-18(20-17)21(2)3/h10-11H,6-9H2,1-5H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081341
PNG
((3-Chloro-phenyl)-(6,7-dimethoxy-isoquinolin-1-yl)...)
Show SMILES COc1cc2ccnc(Nc3cccc(Cl)c3)c2cc1OC
Show InChI InChI=1S/C17H15ClN2O2/c1-21-15-8-11-6-7-19-17(14(11)10-16(15)22-2)20-13-5-3-4-12(18)9-13/h3-10H,1-2H3,(H,19,20)
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PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081334
PNG
((4-Chloro-phenyl)-(6,7-dimethoxy-isoquinolin-1-yl)...)
Show SMILES COc1cc2ccnc(Nc3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C17H15ClN2O2/c1-21-15-9-11-7-8-19-17(14(11)10-16(15)22-2)20-13-5-3-12(18)4-6-13/h3-10H,1-2H3,(H,19,20)
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081345
PNG
(4-(6,7-Dimethoxy-4-nitro-1-oxo-1H-isoquinolin-2-yl...)
Show SMILES CCOC(=O)CCCn1cc([N+]([O-])=O)c2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C17H20N2O7/c1-4-26-16(20)6-5-7-18-10-13(19(22)23)11-8-14(24-2)15(25-3)9-12(11)17(18)21/h8-10H,4-7H2,1-3H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081361
PNG
(4-(4-Amino-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-yl...)
Show SMILES CCOC(=O)CCCn1cc(N)c2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C17H22N2O5/c1-4-24-16(20)6-5-7-19-10-13(18)11-8-14(22-2)15(23-3)9-12(11)17(19)21/h8-10H,4-7,18H2,1-3H3
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081317
PNG
((3-Bromo-phenyl)-(6,7-dimethoxy-isoquinolin-1-yl)-...)
Show SMILES COc1cc2ccnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C17H15BrN2O2/c1-21-15-8-11-6-7-19-17(14(11)10-16(15)22-2)20-13-5-3-4-12(18)9-13/h3-10H,1-2H3,(H,19,20)
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081344
PNG
((4-Bromo-phenyl)-(6,7-dimethoxy-isoquinolin-1-yl)-...)
Show SMILES COc1cc2ccnc(Nc3ccc(Br)cc3)c2cc1OC
Show InChI InChI=1S/C17H15BrN2O2/c1-21-15-9-11-7-8-19-17(14(11)10-16(15)22-2)20-13-5-3-12(18)4-6-13/h3-10H,1-2H3,(H,19,20)
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081339
PNG
(4-(2-Chloro-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl...)
Show SMILES CCOC(=O)CCCn1c(Cl)nc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C16H19ClN2O5/c1-4-24-14(20)6-5-7-19-15(21)10-8-12(22-2)13(23-3)9-11(10)18-16(19)17/h8-9H,4-7H2,1-3H3
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081346
PNG
(4-(6,7-Dihydroxy-4-oxo-4H-quinazolin-3-yl)-butyric...)
Show SMILES CCOC(=O)CCCn1cnc2cc(O)c(O)cc2c1=O
Show InChI InChI=1S/C14H16N2O5/c1-2-21-13(19)4-3-5-16-8-15-10-7-12(18)11(17)6-9(10)14(16)20/h6-8,17-18H,2-5H2,1H3
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081362
PNG
(3-(6,7-Dimethoxy-1-oxo-1H-isoquinolin-2-yl)-propio...)
Show SMILES CCOC(=O)CCn1ccc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C16H19NO5/c1-4-22-15(18)6-8-17-7-5-11-9-13(20-2)14(21-3)10-12(11)16(17)19/h5,7,9-10H,4,6,8H2,1-3H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081318
PNG
(4-[2-(4-Bromo-phenylamino)-6,7-dimethoxy-4-oxo-4H-...)
Show SMILES CCOC(=O)CCCn1c(Nc2ccc(Br)cc2)nc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C22H24BrN3O5/c1-4-31-20(27)6-5-11-26-21(28)16-12-18(29-2)19(30-3)13-17(16)25-22(26)24-15-9-7-14(23)8-10-15/h7-10,12-13H,4-6,11H2,1-3H3,(H,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081338
PNG
(4-[2-(4-Azido-phenylamino)-6,7-dimethoxy-4-oxo-4H-...)
Show SMILES CCOC(=O)CCCn1c(Nc2ccc(cc2)N=[N+]=[N-])nc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C22H24N6O5/c1-4-33-20(29)6-5-11-28-21(30)16-12-18(31-2)19(32-3)13-17(16)25-22(28)24-14-7-9-15(10-8-14)26-27-23/h7-10,12-13H,4-6,11H2,1-3H3,(H,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081348
PNG
(4-(4-Bromo-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-yl...)
Show SMILES CCOC(=O)CCCn1cc(Br)c2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C17H20BrNO5/c1-4-24-16(20)6-5-7-19-10-13(18)11-8-14(22-2)15(23-3)9-12(11)17(19)21/h8-10H,4-7H2,1-3H3
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n/an/a 5.10E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081313
PNG
(2-(6,7-Dimethoxy-isoquinolin-1-ylamino)-ethanol | ...)
Show SMILES COc1cc2ccnc(NCCO)c2cc1OC
Show InChI InChI=1S/C13H16N2O3/c1-17-11-7-9-3-4-14-13(15-5-6-16)10(9)8-12(11)18-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,14,15)
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n/an/a 5.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081336
PNG
(4-(2-Chloro-6,7-dimethoxy-quinazolin-4-yloxy)-buty...)
Show SMILES CCOC(=O)CCCOc1nc(Cl)nc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C16H19ClN2O5/c1-4-23-14(20)6-5-7-24-15-10-8-12(21-2)13(22-3)9-11(10)18-16(17)19-15/h8-9H,4-7H2,1-3H3
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n/an/a 6.80E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081337
PNG
(4-(6,7-Dimethoxy-1-oxo-1H-isoquinolin-2-yl)-butyri...)
Show SMILES COc1cc2ccn(CCCC(O)=O)c(=O)c2cc1OC
Show InChI InChI=1S/C15H17NO5/c1-20-12-8-10-5-7-16(6-3-4-14(17)18)15(19)11(10)9-13(12)21-2/h5,7-9H,3-4,6H2,1-2H3,(H,17,18)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081356
PNG
(4-(4,5-Difluoro-6,7-dimethoxy-1-oxo-1H-isoquinolin...)
Show SMILES CCOC(=O)CCCn1cc(F)c2c(F)c(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C17H19F2NO5/c1-4-25-13(21)6-5-7-20-9-11(18)14-10(17(20)22)8-12(23-2)16(24-3)15(14)19/h8-9H,4-7H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081349
PNG
((6,7-Dimethoxy-isoquinolin-1-yl)-phenyl-amine | CH...)
Show SMILES COc1cc2ccnc(Nc3ccccc3)c2cc1OC
Show InChI InChI=1S/C17H16N2O2/c1-20-15-10-12-8-9-18-17(14(12)11-16(15)21-2)19-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081311
PNG
(4-(6,7-Dimethoxy-1-oxo-1H-isoquinolin-2-yl)-N-meth...)
Show SMILES CNC(=O)CCCn1ccc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C16H20N2O4/c1-17-15(19)5-4-7-18-8-6-11-9-13(21-2)14(22-3)10-12(11)16(18)20/h6,8-10H,4-5,7H2,1-3H3,(H,17,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081350
PNG
(4-(4-Bromo-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-yl...)
Show SMILES CNC(=O)CCCn1cc(Br)c2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C16H19BrN2O4/c1-18-15(20)5-4-6-19-9-12(17)10-7-13(22-2)14(23-3)8-11(10)16(19)21/h7-9H,4-6H2,1-3H3,(H,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50081315
PNG
(4-(5-Acetylamino-6,7-dimethoxy-4-oxo-4H-quinazolin...)
Show SMILES CCOC(=O)CCCn1cnc2cc(OC)c(OC)c(NC(C)=O)c2c1=O
Show InChI InChI=1S/C18H23N3O6/c1-5-27-14(23)7-6-8-21-10-19-12-9-13(25-3)17(26-4)16(20-11(2)22)15(12)18(21)24/h9-10H,5-8H2,1-4H3,(H,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.


J Med Chem 42: 3860-73 (1999)


Article DOI: 10.1021/jm9805900
BindingDB Entry DOI: 10.7270/Q2TH8NDH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%