Compile Data Set for Download or QSAR

Found 200 hits with Last Name = 'cottam' and Initial = 'hb'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenosine kinase (Homo sapiens (Human))	BDBM50375654 (CHEMBL99203 | US11633415, Compound 5-iodotubercidi...) Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human placental adenosine kinase				J Med Chem 36: 3424-30 (1993) BindingDB Entry DOI: 10.7270/Q2NG4R8J
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50368712 (CHEMBL608051) Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H12IN5O4/c11-7-4-8(12)13-2-14-9(4)16(15-7)10-6(19)5(18)3(1-17)20-10/h2-3,5-6,10,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human placental adenosine kinase				J Med Chem 36: 3424-30 (1993) BindingDB Entry DOI: 10.7270/Q2NG4R8J
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50368710 (CHEMBL607761) Show SMILES NC[C@H]1OC([C@H](O)[C@@H]1O)n1nc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C10H13IN6O3/c11-7-4-8(13)14-2-15-9(4)17(16-7)10-6(19)5(18)3(1-12)20-10/h2-3,5-6,10,18-19H,1,12H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human placental adenosine kinase				J Med Chem 36: 3424-30 (1993) BindingDB Entry DOI: 10.7270/Q2NG4R8J
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50368709 (CHEMBL607766) Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CF)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H11FIN5O3/c11-1-3-5(18)6(19)10(20-3)17-9-4(7(12)16-17)8(13)14-2-15-9/h2-3,5-6,10,18-19H,1H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human placental adenosine kinase				J Med Chem 36: 3424-30 (1993) BindingDB Entry DOI: 10.7270/Q2NG4R8J
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50368707 (CHEMBL612205) Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1nc(I)c2c(N)ncnc12 |r| Show InChI InChI=1S/C10H12IN5O3/c1-3-5(17)6(18)10(19-3)16-9-4(7(11)15-16)8(12)13-2-14-9/h2-3,5-6,10,17-18H,1H3,(H2,12,13,14)/t3-,5-,6-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human placental adenosine kinase				J Med Chem 36: 3424-30 (1993) BindingDB Entry DOI: 10.7270/Q2NG4R8J
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50368708 (CHEMBL611890) Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H11ClIN5O3/c11-1-3-5(18)6(19)10(20-3)17-9-4(7(12)16-17)8(13)14-2-15-9/h2-3,5-6,10,18-19H,1H2,(H2,13,14,15)/t3-,5-,6-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human placental adenosine kinase				J Med Chem 36: 3424-30 (1993) BindingDB Entry DOI: 10.7270/Q2NG4R8J
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50368706 (CHEMBL607762) Show SMILES Nc1ncnc2n(nc(I)c12)C1O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H11IN8O3/c11-7-4-8(12)14-2-15-9(4)19(17-7)10-6(21)5(20)3(22-10)1-16-18-13/h2-3,5-6,10,20-21H,1H2,(H2,12,14,15)/t3-,5-,6-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human placental adenosine kinase				J Med Chem 36: 3424-30 (1993) BindingDB Entry DOI: 10.7270/Q2NG4R8J
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081323 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081305 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081327 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50048928 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081304 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50048929 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50048928 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50081354 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081335 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081326 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081306 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50048933 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50081303 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081333 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081343 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081351 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50048931 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50081310 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081314 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50048924 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50081330 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081352 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM14361 ((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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50081353 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081355 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50048925 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50081322 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081312 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50048932 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50081312 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081328 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50048948 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50081342 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081319 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50048938 ((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-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50081307 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081308 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081309 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081316 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair

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