Compile Data Set for Download or QSAR

Found 2037 hits of ic50 data for polymerid = 5625   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tumor necrosis factor (Homo sapiens (Human))	BDBM235368 (US10085990, Example 98 | US9393245, 98) Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)NC(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C27H28ClN5O4/c1-16(2)30-26(35)31-12-10-18(11-13-31)32-24-20-8-5-9-22(37-3)23(20)29-15-21(24)25(34)33(27(32)36)19-7-4-6-17(28)14-19/h4-9,14-16,18H,10-13H2,1-3H3,(H,30,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235381 (BDBM287835 | US9393245, 113) Show SMILES COc1cccc2c1ncc1c2n([C@@H]2CCN(C2)C(=O)OC(C)(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O |r| Show InChI InChI=1S/C27H27ClN4O5/c1-27(2,3)37-26(35)30-12-11-18(15-30)31-23-19-9-6-10-21(36-4)22(19)29-14-20(23)24(33)32(25(31)34)17-8-5-7-16(28)13-17/h5-10,13-14,18H,11-12,15H2,1-4H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235366 (US10085990, Example 96 | US9393245, 96) Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)C2CCS(=O)(=O)C2)c(=O)n(-c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C27H27ClN4O7S2/c1-39-23-7-3-6-21-24(23)29-15-22-25(21)31(27(34)32(26(22)33)19-5-2-4-17(28)14-19)18-8-11-30(12-9-18)41(37,38)20-10-13-40(35,36)16-20/h2-7,14-15,18,20H,8-13,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235364 (US10085990, Example 94 | US9393245, 94) Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)N(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C25H26ClN5O5S/c1-28(2)37(34,35)29-12-10-17(11-13-29)30-23-19-8-5-9-21(36-3)22(19)27-15-20(23)24(32)31(25(30)33)18-7-4-6-16(26)14-18/h4-9,14-15,17H,10-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235363 (US10085990, Example 93 | US9393245, 93) Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)C(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C26H27ClN4O5S/c1-16(2)37(34,35)29-12-10-18(11-13-29)30-24-20-8-5-9-22(36-3)23(20)28-15-21(24)25(32)31(26(30)33)19-7-4-6-17(27)14-19/h4-9,14-16,18H,10-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM77003 (3-(1-oxo-4-(4-(2-(pyrrolidin-1-yl)ethoxy)benzyloxy...) Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(OCCN2CCCC2)cc1)C1CCC(=O)NC1=O |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$| Show InChI InChI=1S/C26H29N3O5/c30-24-11-10-22(25(31)27-24)29-16-21-20(26(29)32)4-3-5-23(21)34-17-18-6-8-19(9-7-18)33-15-14-28-12-1-2-13-28/h3-9,22H,1-2,10-17H2,(H,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	37
Celgene Corporation US Patent					Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p...				US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM65497 (CC-220 (Compound 6) | US9694015, 6.4S) Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)[C@H]1CCC(=O)NC1=O Show InChI InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	37
Celgene Corporation US Patent					Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p...				US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235367 (US10085990, Example 97 | US9393245, 97) Show SMILES CCNC(=O)N1CCC(CC1)n1c2c3cccc(OC)c3ncc2c(=O)n(-c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C26H26ClN5O4/c1-3-28-25(34)30-12-10-17(11-13-30)31-23-19-8-5-9-21(36-2)22(19)29-15-20(23)24(33)32(26(31)35)18-7-4-6-16(27)14-18/h4-9,14-15,17H,3,10-13H2,1-2H3,(H,28,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM77008 (3-{4-[4-(2-morpholin-4-yl-ethyl)-benzyloxy]-1-oxo-...) Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CCN2CCOCC2)cc1)C1CCC(=O)NC1=O Show InChI InChI=1S/C26H29N3O5/c30-24-9-8-22(25(31)27-24)29-16-21-20(26(29)32)2-1-3-23(21)34-17-19-6-4-18(5-7-19)10-11-28-12-14-33-15-13-28/h1-7,22H,8-17H2,(H,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	37
Celgene Corporation US Patent					Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p...				US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235370 (US10085990, Example 100 | US9393245, 100) Show SMILES COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2ccc(Cl)cc2)c1=O |(-5.33,-5,;-4,-4.23,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;-2.67,4.23,;-4,5,;-5.33,4.23,;-6.67,5,;-5.33,2.69,;-4,1.93,;,2.69,;,4.23,;1.33,1.93,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;6.67,5,;4,5,;2.67,4.23,;1.33,.38,;2.67,-.38,)| Show InChI InChI=1S/C25H24ClN3O3/c1-15-6-10-17(11-7-15)28-23-19-4-3-5-21(32-2)22(19)27-14-20(23)24(30)29(25(28)31)18-12-8-16(26)9-13-18/h3-5,8-9,12-15,17H,6-7,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM77005 (3-(4-(4-(2-morpholin-4-yl-ethoxy)-benzyloxy)-1-oxo...) Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(OCCN2CCOCC2)cc1)C1CCC(=O)NC1=O |$;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$| Show InChI InChI=1S/C26H29N3O6/c30-24-9-8-22(25(31)27-24)29-16-21-20(26(29)32)2-1-3-23(21)35-17-18-4-6-19(7-5-18)34-15-12-28-10-13-33-14-11-28/h1-7,22H,8-17H2,(H,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	37
Celgene Corporation US Patent					Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p...				US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235355 (US10085990, Example 83 | US9393245, 83) Show SMILES CCCCn1c2c3cccc(OC)c3ncc2c(=O)n(-c2cccc(C)c2)c1=O Show InChI InChI=1S/C23H23N3O3/c1-4-5-12-25-21-17-10-7-11-19(29-3)20(17)24-14-18(21)22(27)26(23(25)28)16-9-6-8-15(2)13-16/h6-11,13-14H,4-5,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235362 (US10085990, Example 91 | US9393245, 91) Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)c2ccccc2)c(=O)n(-c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C30H25ClN4O4/c1-39-25-12-6-11-23-26(25)32-18-24-27(23)34(30(38)35(29(24)37)22-10-5-9-20(31)17-22)21-13-15-33(16-14-21)28(36)19-7-3-2-4-8-19/h2-12,17-18,21H,13-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235365 (US10085990, Example 95 | US9393245, 95) Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)c2ccccc2)c(=O)n(-c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C29H25ClN4O5S/c1-39-25-12-6-11-23-26(25)31-18-24-27(23)33(29(36)34(28(24)35)21-8-5-7-19(30)17-21)20-13-15-32(16-14-20)40(37,38)22-9-3-2-4-10-22/h2-12,17-18,20H,13-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM135819 (US10085990, Example 103 | US10568888, Example 103 ...) Show SMILES COc1cccc2c1ncc1c2n(C2CC[C@@H](CC2)C(O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O |r,wU:16.21,(-4.67,-5.78,;-3.33,-5,;-3.33,-3.47,;-4.67,-2.69,;-4.67,-1.15,;-3.33,-.38,;-2,-1.15,;-2,-2.69,;-.67,-3.47,;.67,-2.69,;.67,-1.15,;-.67,-.38,;-.67,1.15,;-2,1.93,;-2,3.47,;-3.33,4.23,;-4.67,3.47,;-4.67,1.93,;-3.33,1.15,;-6,4.23,;-7.34,3.47,;-6,5.78,;.67,1.93,;.67,3.47,;2,1.15,;3.33,1.93,;3.33,3.47,;4.67,4.23,;6,3.47,;6,1.93,;7.34,1.15,;4.67,1.15,;2,-.38,;3.33,-1.15,)| Show InChI InChI=1S/C25H22ClN3O5/c1-34-20-7-3-6-18-21(20)27-13-19-22(18)28(16-10-8-14(9-11-16)24(31)32)25(33)29(23(19)30)17-5-2-4-15(26)12-17/h2-7,12-14,16H,8-11H2,1H3,(H,31,32)/t14-,16?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235359 (US10085990, Example 88 | US9393245, 88) Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)OC(C)(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C28H29ClN4O5/c1-28(2,3)38-27(36)31-13-11-18(12-14-31)32-24-20-9-6-10-22(37-4)23(20)30-16-21(24)25(34)33(26(32)35)19-8-5-7-17(29)15-19/h5-10,15-16,18H,11-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235375 (US10085990, Example 107 | US9393245, 107) Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)OC(C)(C)C)c(=O)n(-c2ccc3OCOc3c2)c1=O Show InChI InChI=1S/C29H30N4O7/c1-29(2,3)40-28(36)31-12-10-17(11-13-31)32-25-19-6-5-7-22(37-4)24(19)30-15-20(25)26(34)33(27(32)35)18-8-9-21-23(14-18)39-16-38-21/h5-9,14-15,17H,10-13,16H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235350 (US10085990, Example 78 | US9393245, 78) Show SMILES COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2cccc(C)c2)c1=O |(-5.33,-5,;-4,-4.23,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;-2.67,4.23,;-4,5,;-5.33,4.23,;-6.67,5,;-5.33,2.69,;-4,1.93,;,2.69,;,4.23,;1.33,1.93,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;4,1.93,;1.33,.38,;2.67,-.38,)| Show InChI InChI=1S/C26H27N3O3/c1-16-10-12-18(13-11-16)28-24-20-8-5-9-22(32-3)23(20)27-15-21(24)25(30)29(26(28)31)19-7-4-6-17(2)14-19/h4-9,14-16,18H,10-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM77001 (3-(4-((4-(morpholinomethyl)benzyl)-oxy)-1-oxoisoin...) Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)C1CCC(=O)NC1=O Show InChI InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	37
Celgene Corporation US Patent					Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p...				US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235390 (US10085990, Example 126 | US9393245, 126) Show SMILES COc1cccc2c1ncc1c2n(CC2CCN(CC2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C25H25ClN4O5S/c1-35-21-8-4-7-19-22(21)27-14-20-23(19)29(15-16-9-11-28(12-10-16)36(2,33)34)25(32)30(24(20)31)18-6-3-5-17(26)13-18/h3-8,13-14,16H,9-12,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235361 (US10085990, Example 90 | US9393245, 90) Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)C(C)=O)c(=O)n(-c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C25H23ClN4O4/c1-15(31)28-11-9-17(10-12-28)29-23-19-7-4-8-21(34-2)22(19)27-14-20(23)24(32)30(25(29)33)18-6-3-5-16(26)13-18/h3-8,13-14,17H,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235383 (US10085990, Example 116 | US9393245, 116) Show SMILES COc1cccc2c1ncc1c2n([C@H]2CCN(C2)C(=O)OC(C)(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O |r| Show InChI InChI=1S/C27H27ClN4O5/c1-27(2,3)37-26(35)30-12-11-18(15-30)31-23-19-9-6-10-21(36-4)22(19)29-14-20(23)24(33)32(25(31)34)17-8-5-7-16(28)13-17/h5-10,13-14,18H,11-12,15H2,1-4H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM135817 (US10085990, Example 84 | US10568888, Example 84 | ...) Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O Show InChI InChI=1S/C24H21N3O5/c1-30-19-8-4-7-16-21(19)25-12-17-22(16)26(14-5-2-3-6-14)24(29)27(23(17)28)15-9-10-18-20(11-15)32-13-31-18/h4,7-12,14H,2-3,5-6,13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235358 (US10085990, Example 87 | US9393245, 87) Show SMILES COc1cccc2c1ncc1c2n(C2CCC(F)(F)CC2)c(=O)n(-c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C24H20ClF2N3O3/c1-33-19-7-3-6-17-20(19)28-13-18-21(17)29(15-8-10-24(26,27)11-9-15)23(32)30(22(18)31)16-5-2-4-14(25)12-16/h2-7,12-13,15H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM135818 (US10085990, Example 92 | US10568888, Example 92 | ...) Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C24H23ClN4O5S/c1-34-20-8-4-7-18-21(20)26-14-19-22(18)28(16-9-11-27(12-10-16)35(2,32)33)24(31)29(23(19)30)17-6-3-5-15(25)13-17/h3-8,13-14,16H,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235374 (US10085990, Example 106 | US9393245, 106) Show SMILES COc1cccc2c1ncc1c2n(C2CCCCC2)c(=O)n(-c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C24H22ClN3O3/c1-31-20-12-6-11-18-21(20)26-14-19-22(18)27(16-8-3-2-4-9-16)24(30)28(23(19)29)17-10-5-7-15(25)13-17/h5-7,10-14,16H,2-4,8-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235344 (US10085990, Example 72 | US9393245, 72) Show SMILES COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2cccc(Cl)c2)c1=O |(-5.33,-5,;-4,-4.23,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;-2.67,4.23,;-4,5,;-5.33,4.23,;-6.67,5,;-5.33,2.69,;-4,1.93,;,2.69,;,4.23,;1.33,1.93,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;4,1.93,;1.33,.38,;2.67,-.38,)| Show InChI InChI=1S/C25H24ClN3O3/c1-15-9-11-17(12-10-15)28-23-19-7-4-8-21(32-2)22(19)27-14-20(23)24(30)29(25(28)31)18-6-3-5-16(26)13-18/h3-8,13-15,17H,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM511474 (US11059789, Example 23 | US11691950, Example 23) Show SMILES CN(C)C(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCC(=O)OCC(=O)[C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]32C)cc1 |r,c:53,t:49| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2C82FD9
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM511474 (US11059789, Example 23 | US11691950, Example 23) Show SMILES CN(C)C(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCC(=O)OCC(=O)[C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]32C)cc1 |r,c:53,t:49| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72M2
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235360 (US10085990, Example 89 | US9393245, 89) Show SMILES COc1cccc2c1ncc1c2n(C2CCNCC2)c(=O)n(-c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C23H21ClN4O3/c1-31-19-7-3-6-17-20(19)26-13-18-21(17)27(15-8-10-25-11-9-15)23(30)28(22(18)29)16-5-2-4-14(24)12-16/h2-7,12-13,15,25H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM135824 (US10085990, Example 127 | US10568888, Example 127 ...) Show SMILES COc1cccc2c1ncc1c2n(C2CC[C@@H](CC2)NS(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O |r,wU:16.21,(-4,-5.01,;-2.67,-4.24,;-2.67,-2.7,;-4,-1.93,;-4,-.39,;-2.67,.38,;-1.33,-.39,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;,1.92,;-1.33,2.69,;-1.33,4.23,;-2.67,5.01,;-4,4.23,;-4,2.69,;-2.67,1.92,;-5.33,5,;-6.67,4.23,;-8,5,;-7.44,2.9,;-5.9,2.9,;1.33,2.69,;1.33,4.23,;2.67,1.92,;4,2.69,;4,4.23,;5.33,5,;6.67,4.23,;6.67,2.69,;8,1.92,;5.33,1.92,;2.67,.38,;4,-.39,)| Show InChI InChI=1S/C25H25ClN4O5S/c1-35-21-8-4-7-19-22(21)27-14-20-23(19)29(17-11-9-16(10-12-17)28-36(2,33)34)25(32)30(24(20)31)18-6-3-5-15(26)13-18/h3-8,13-14,16-17,28H,9-12H2,1-2H3/t16-,17?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235347 (US10085990, Example 75 | US9393245, 75) Show SMILES CCc1cccc(c1)-n1c(=O)n(C2CCCC2)c2c3cccc(OC)c3ncc2c1=O Show InChI InChI=1S/C25H25N3O3/c1-3-16-8-6-11-18(14-16)28-24(29)20-15-26-22-19(12-7-13-21(22)31-2)23(20)27(25(28)30)17-9-4-5-10-17/h6-8,11-15,17H,3-5,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM135816 (US10085990, Example 54 | US10568888, Example 54 | ...) Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(C)c2)c1=O Show InChI InChI=1S/C24H23N3O3/c1-15-7-5-10-17(13-15)27-23(28)19-14-25-21-18(11-6-12-20(21)30-2)22(19)26(24(27)29)16-8-3-4-9-16/h5-7,10-14,16H,3-4,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235377 (US10085990, Example 109 | US9393245, 109) Show SMILES COc1cccc2c1ncc1c2n(C2CCN(CC2)S(C)(=O)=O)c(=O)n(-c2ccc3OCOc3c2)c1=O Show InChI InChI=1S/C25H24N4O7S/c1-34-20-5-3-4-17-22(20)26-13-18-23(17)28(15-8-10-27(11-9-15)37(2,32)33)25(31)29(24(18)30)16-6-7-19-21(12-16)36-14-35-19/h3-7,12-13,15H,8-11,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235345 (US10085990, Example 73 | US9393245, 73) Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C23H20ClN3O3/c1-30-19-11-5-10-17-20(19)25-13-18-21(17)26(15-7-2-3-8-15)23(29)27(22(18)28)16-9-4-6-14(24)12-16/h4-6,9-13,15H,2-3,7-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM77015 ((R)-3-(4-((4-(morpholinomethyl)benzyl)-oxy)-1-oxoi...) Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCC(=O)NC1=O |r| Show InChI InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	37
Celgene Corporation US Patent					Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p...				US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50168737 ((2R,3R)-1-[4-(2-Chloro-4-fluoro-benzyloxy)-benzene...) Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1 Show InChI InChI=1S/C20H22ClFN2O6S/c1-20(26)9-2-10-24(18(20)19(25)23-27)31(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)21/h3-8,11,18,26-27H,2,9-10,12H2,1H3,(H,23,25)/t18-,20+/m0/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against TNF-alpha releasein LPS treated whole blood				Bioorg Med Chem Lett 15: 3385-8 (2005) Article DOI: 10.1016/j.bmcl.2005.05.037 BindingDB Entry DOI: 10.7270/Q25D8RCC
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM277677 (2-(2-(2-(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy)-3...) Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OCCOCCOCC(O)=O)c1 Show InChI InChI=1S/C41H47N5O11S/c1-41(2,3)26-19-34(39(53-5)35(20-26)46-58(6,50)51)45-40(49)44-33-11-12-36(32-10-8-7-9-31(32)33)57-28-13-14-42-37(24-28)43-27-21-29(52-4)23-30(22-27)56-18-17-54-15-16-55-25-38(47)48/h7-14,19-24,46H,15-18,25H2,1-6H3,(H,42,43)(H,47,48)(H2,44,45,49)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.8	n/a	n/a	n/a	n/a	n/a	n/a
Respivert Limited; Topivert Pharma Limited US Patent					Assay Description PBMCs from healthy subjects are separated from whole blood using a density gradient (Lymphoprep, Axis-Shield Healthcare). Cells are added to a 96 wel...				US Patent US10072034 (2018) BindingDB Entry DOI: 10.7270/Q2B85B49
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50552364 (CHEMBL4781606) Show SMILES C[C@@H](Nc1c(Cl)cnc2ccc(cc12)-c1cnc(nc1)C(C)(C)O)c1ccccc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent labeled probe from human recombinant His-tagged TNFalpha (77 to 233 residues) expressed in Escherichia coli preincubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01732 BindingDB Entry DOI: 10.7270/Q2S46WM7
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50552381 (CHEMBL4787433) Show SMILES C[C@@H](Nc1c(Cl)cnc2ccc(cc12)-c1ccc(nc1)S(C)(=O)=O)c1ccccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent labeled probe from human recombinant His-tagged TNFalpha (77 to 233 residues) expressed in Escherichia coli preincubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01732 BindingDB Entry DOI: 10.7270/Q2S46WM7
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50552380 (CHEMBL4797699) Show SMILES CCOc1ncc(cn1)-c1ccc2ncc(Cl)c(N[C@H](C)c3ccccc3F)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent labeled probe from human recombinant His-tagged TNFalpha (77 to 233 residues) expressed in Escherichia coli preincubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01732 BindingDB Entry DOI: 10.7270/Q2S46WM7
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM309962 (US9656996, Compound 18) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1nc(N2CCOCC2)c2nc(OC3CCN(CC3)C3COC3)n(C)c2n1 Show InChI InChI=1S/C25H34N8O6S/c1-31-22-20(27-25(31)39-18-4-6-32(7-5-18)17-14-38-15-17)23(33-8-10-37-11-9-33)29-21(28-22)16-12-19(30-40(3,34)35)24(36-2)26-13-16/h12-13,17-18,30H,4-11,14-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.2	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. US Patent					Assay Description 1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS.2. The compound was formulated in 100% DMSO in a concentr...				US Patent US9656996 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q1B
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM511476 (US11059789, Example 28 | US11691950, Example 28) Show SMILES CN(C)C(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCC(=O)OCC(=O)[C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]32C)cc1 |r,c:52,t:48| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	15.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2C82FD9
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM511476 (US11059789, Example 28 | US11691950, Example 28) Show SMILES CN(C)C(C(=O)Nc1ccc2cnccc2c1)c1ccc(COC(=O)CCC(=O)OCC(=O)[C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]32C)cc1 |r,c:52,t:48| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The TNFα assay quantifies secreted TNFα from RAW264.7 immortalized murine macrophages as an indicator of inflammation. The cells were concu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VD72M2
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50552368 (CHEMBL4787001) Show SMILES C[C@@H](Nc1c(Cl)cnc2ccc(cc12)-c1cnc(nc1)C(C)(C)O)c1ccccc1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent labeled probe from human recombinant His-tagged TNFalpha (77 to 233 residues) expressed in Escherichia coli preincubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01732 BindingDB Entry DOI: 10.7270/Q2S46WM7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM102834 (US8541572, 911) Show SMILES CCN1CCN(CC1)C(N=O)c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C28H30N6O5/c1-3-32-12-14-33(15-13-32)24(31-38)20-6-4-19(5-7-20)10-11-28(26(36)29-27(37)30-28)18-34-17-21-8-9-22(39-2)16-23(21)25(34)35/h4-9,16,24H,3,12-15,17-18H2,1-2H3,(H2,29,30,36,37)/t24?,28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.160	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibition assay using TNF-alpha.				US Patent US8541572 (2013) BindingDB Entry DOI: 10.7270/Q2QC024J
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM235369 (US10085990, Example 99 | US9393245, 99) Show SMILES COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2ccccc2Cl)c1=O |(-4.67,-5,;-3.33,-4.23,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,2.69,;-2,4.23,;-3.33,5,;-4.67,4.23,;-6,5,;-4.67,2.69,;-3.33,1.93,;.67,2.69,;.67,4.23,;2,1.93,;3.33,2.69,;3.33,4.23,;4.67,5,;6,4.23,;6,2.69,;4.67,1.93,;4.67,.38,;2,.38,;3.33,-.38,)| Show InChI InChI=1S/C25H24ClN3O3/c1-15-10-12-16(13-11-15)28-23-17-6-5-9-21(32-2)22(17)27-14-18(23)24(30)29(25(28)31)20-8-4-3-7-19(20)26/h3-9,14-16H,10-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	25
vTv Therapeutics LLC US Patent					Assay Description Add 100 μL of sample or standards in Reagent Diluent, or an appropriate diluent, per well. Cover with an adhesive strip and incubate 2 hours at ro...				US Patent US9393245 (2016) BindingDB Entry DOI: 10.7270/Q2JH3K2T
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM309961 (US9656996, Compound 16) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1nc(N2CCOCC2)c2sc(C)c(CN3CCC(CC3)N(C)C(C)C)c2n1 Show InChI InChI=1S/C28H41N7O4S2/c1-18(2)33(4)21-7-9-34(10-8-21)17-22-19(3)40-25-24(22)30-26(31-27(25)35-11-13-39-14-12-35)20-15-23(32-41(6,36)37)28(38-5)29-16-20/h15-16,18,21,32H,7-14,17H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.1	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI YINGLI PHARMACEUTICAL CO., LTD. US Patent					Assay Description 1. Buffer preparation: 50 mM HEPES, pH 7.5, 3 mM MgCl2, 1 mM EGTA, 100 mM NaCl, 0.03% CHAPS.2. The compound was formulated in 100% DMSO in a concentr...				US Patent US9656996 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q1B
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50552388 (CHEMBL4742065) Show SMILES CC(Nc1c(Cl)cnc2ccc(nc12)-c1cnc(nc1)C(C)(C)O)c1ccccc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent labeled probe from human recombinant His-tagged TNFalpha (77 to 233 residues) expressed in Escherichia coli preincubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01732 BindingDB Entry DOI: 10.7270/Q2S46WM7
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50552388 (CHEMBL4742065) Show SMILES CC(Nc1c(Cl)cnc2ccc(nc12)-c1cnc(nc1)C(C)(C)O)c1ccccc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of fluorescent labeled probe from human recombinant His-tagged TNFalpha (77 to 233 residues) expressed in Escherichia coli preincubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01732 BindingDB Entry DOI: 10.7270/Q2S46WM7
					More data for this Ligand-Target Pair

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