Found 46 hits of kd 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)) | BDBM50566086
(CHEMBL4793441)Show SMILES C[C@@H]1CN(CCN1C(=O)CO)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3ccccc3OC(F)F)c2c1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50566082
(CHEMBL4779359)Show SMILES CN1CCN(Cc2ccc(-c3c[nH]c4ccncc34)c(OCCc3ccc(cc3)-c3cccc4ccncc34)c2)CC1 | 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 | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50359044
(CHEMBL1922178)Show SMILES C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O |r,c:17| Show InChI InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21-22,27,36H,9-14H2,1-8H3,(H,39,40)/t15-,16?,19-,21+,22+,27-,30+,31+,32+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.45 | n/a | n/a | n/a | n/a | n/a |
The Second People's Hospital of Fujian Provinc
Curated by ChEMBL
| Assay Description Binding affinity to TNF-alpha (unknown origin) |
Eur J Med Chem 83: 294-306 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.037 BindingDB Entry DOI: 10.7270/Q2NG4S7H |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50021403
(Ganoderic Acid F)Show SMILES [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CC(=O)CC(C)C(O)=O |r,c:7| Show InChI InChI=1S/C32H42O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21,27H,9-14H2,1-8H3,(H,39,40)/t15-,16?,19-,21+,27-,30+,31+,32+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.69 | n/a | n/a | n/a | n/a | n/a |
The Second People's Hospital of Fujian Provinc
Curated by ChEMBL
| Assay Description Binding affinity to TNF-alpha (unknown origin) |
Eur J Med Chem 83: 294-306 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.037 BindingDB Entry DOI: 10.7270/Q2NG4S7H |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50373071
(CHEMBL255489)Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 3.81 | n/a | n/a | n/a | n/a | n/a |
The Second People's Hospital of Fujian Provinc
Curated by ChEMBL
| Assay Description Binding affinity to TNF-alpha (unknown origin) |
Eur J Med Chem 83: 294-306 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.037 BindingDB Entry DOI: 10.7270/Q2NG4S7H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50566088
(CHEMBL4793924)Show SMILES [H][C@]12CNC(=O)N1CCN(C2)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3cccnc3C#N)c2c1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50566087
(CHEMBL4787790)Show SMILES C[C@@H]1CN(CCN1C(=O)CO)c1ncc(cn1)-c1ccc2C(=O)C(C)(C)N(Cc3cccnc3C#N)c2c1 |r| | 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 | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50359040
(CHEMBL1922174)Show SMILES C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:17| Show InChI InChI=1S/C30H46O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-23,32,34-35H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,22+,23+,28+,29-,30+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a |
The Second People's Hospital of Fujian Provinc
Curated by ChEMBL
| Assay Description Binding affinity to TNF-alpha (unknown origin) |
Eur J Med Chem 83: 294-306 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.037 BindingDB Entry DOI: 10.7270/Q2NG4S7H |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50359037
(CHEMBL602899)Show SMILES C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]3O |r,c:17,@:30| Show InChI InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,23,32,35H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21-,23-,28+,29+,30+/m1/s1 | 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 | n/a | 8 | n/a | n/a | n/a | n/a | n/a |
The Second People's Hospital of Fujian Provinc
Curated by ChEMBL
| Assay Description Binding affinity to TNF-alpha (unknown origin) |
Eur J Med Chem 83: 294-306 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.037 BindingDB Entry DOI: 10.7270/Q2NG4S7H |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50356915
(GANODERIC ACID B)Show SMILES C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:17| Show InChI InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-22,32,34H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,19+,21+,22+,28+,29-,30+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a |
The Second People's Hospital of Fujian Provinc
Curated by ChEMBL
| Assay Description Binding affinity to TNF-alpha (unknown origin) |
Eur J Med Chem 83: 294-306 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.037 BindingDB Entry DOI: 10.7270/Q2NG4S7H |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50552392
(CHEMBL4743779)Show SMILES Cc1ccc(C)c(Cn2c(nc3ccc(cc23)-c2cnn(C)c2)C(O)c2ccncc2)c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human TNF measured after 2 hrs by surface plasmon resonance |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01608 BindingDB Entry DOI: 10.7270/Q25D8WHT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50021401
(CHEMBL3289609)Show SMILES [H][C@@]12C[C@H](O)C3=C(C(=O)C[C@]4(C)[C@H](C[C@H](O)[C@@]34C)C(\C)=C/C(=O)CC(=C)C(O)=O)[C@@]1(C)CCC(=O)C2(C)C |r,t:5| Show InChI InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,18-19,21,23,32,35H,2,8-9,11-14H2,1,3-7H3,(H,36,37)/b15-10-/t18-,19+,21+,23+,28+,29-,30+/m1/s1 | 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 | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
The Second People's Hospital of Fujian Provinc
Curated by ChEMBL
| Assay Description Binding affinity to TNF-alpha (unknown origin) |
Eur J Med Chem 83: 294-306 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.037 BindingDB Entry DOI: 10.7270/Q2NG4S7H |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50356920
(CHEMBL1915761)Show SMILES [#6]-[#6@H](-[#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8])-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6]-[#6@H]4C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6] |r,c:30,t:15| Show InChI InChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25+,28-,29-,30+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a |
The Second People's Hospital of Fujian Provinc
Curated by ChEMBL
| Assay Description Binding affinity to TNF-alpha (unknown origin) |
Eur J Med Chem 83: 294-306 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.037 BindingDB Entry DOI: 10.7270/Q2NG4S7H |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50021402
(Ganoderic Acid D)Show SMILES [H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])C[C@@H]3O)[C@H](C)CC(=O)CC(C)C(O)=O |r,c:7| Show InChI InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,19+,21+,28+,29-,30+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a |
The Second People's Hospital of Fujian Provinc
Curated by ChEMBL
| Assay Description Binding affinity to TNF-alpha (unknown origin) |
Eur J Med Chem 83: 294-306 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.037 BindingDB Entry DOI: 10.7270/Q2NG4S7H |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50566081
(CHEMBL4778232)Show SMILES C(Cc1ccc(cc1)-c1cccc2ccncc12)Oc1ccccc1-c1cccc2ccncc12 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM228654
((E)-4-(2-(4-chloro-3-nitrophenyl)) (C87))Show SMILES [O-][N+](=O)c1cc(N\N=C2\C(=O)N(N=C2c2ccccc2)c2nc(cs2)-c2ccccc2)ccc1Cl |c:12| Show InChI InChI=1S/C24H15ClN6O3S/c25-18-12-11-17(13-20(18)31(33)34)27-28-22-21(16-9-5-2-6-10-16)29-30(23(22)32)24-26-19(14-35-24)15-7-3-1-4-8-15/h1-14,27H/b28-22+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 110 | n/a | n/a | n/a | 7.0 | n/a |
Institute of Hematology and Blood Diseases Hospital, Chinese Academy of Medical Sciences and Peking Union Medical College
| Assay Description Surface plasmon resonance (SPR) assays were carried out on a BIAcore 3000 instrument (Biacore, Inc). Briefly, purified hTNFα was dissolved at 32... |
J Biol Chem 289: 12457-66 (2014)
Article DOI: 10.1074/jbc.M113.521708 BindingDB Entry DOI: 10.7270/Q2J9658M |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50378582
(APIGETRIN | Apigenin 7-O-β-D-glucoside (8) | ...)Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a |
The Second People's Hospital of Fujian Provinc
Curated by ChEMBL
| Assay Description Binding affinity to TNF-alpha (unknown origin) |
Eur J Med Chem 83: 294-306 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.037 BindingDB Entry DOI: 10.7270/Q2NG4S7H |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50241242
(2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen...)Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a |
The Second People's Hospital of Fujian Provinc
Curated by ChEMBL
| Assay Description Binding affinity to TNF-alpha (unknown origin) |
Eur J Med Chem 83: 294-306 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.037 BindingDB Entry DOI: 10.7270/Q2NG4S7H |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50021397
(CHEMBL3289608)Show SMILES COc1ccc(cc1O)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O |r| Show InChI InChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 1.82E+3 | n/a | n/a | n/a | n/a | n/a |
The Second People's Hospital of Fujian Provinc
Curated by ChEMBL
| Assay Description Binding affinity to TNF-alpha (unknown origin) |
Eur J Med Chem 83: 294-306 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.037 BindingDB Entry DOI: 10.7270/Q2NG4S7H |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50566080
(CHEMBL4783333) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50545753
(CHEMBL4649816)Show SMILES O=C1C[C@@H](CN1Cc1ccccc1)Nc1ncnc2[nH]cnc12 |r| Show InChI InChI=1S/C16H16N6O/c23-13-6-12(8-22(13)7-11-4-2-1-3-5-11)21-16-14-15(18-9-17-14)19-10-20-16/h1-5,9-10,12H,6-8H2,(H2,17,18,19,20,21)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 4.26E+3 | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology
Curated by ChEMBL
| Assay Description Binding affinity to recombinant TNFalpha (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as Kd for TNF-alpha-TNFR1 binding at 10 u... |
J Med Chem 63: 8146-8156 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00377 BindingDB Entry DOI: 10.7270/Q2JQ14MX |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50575321
(CHEMBL4851618)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1)C(O)=O |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to TNF (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693 BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50575304
(CHEMBL4877313)Show SMILES OC(=O)[C@H](Cc1ccc(O)c(I)c1)NC(=O)c1cc2c(F)cccc2[nH]1 |r| | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to TNF (unknown origin) |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01693 BindingDB Entry DOI: 10.7270/Q2H135TK |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50373071
(CHEMBL255489)Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 5.36E+3 | n/a | n/a | n/a | 6.5 | n/a |
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece.
Curated by ChEMBL
| Assay Description Binding affinity to GST-tagged human TNF-alpha in 10 mM citrate-phosphate at pH 6.5 by fluorescence assay |
ACS Med Chem Lett 4: 137-41 (2013)
Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50373071
(CHEMBL255489)Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 5.36E+3 | n/a | n/a | n/a | n/a | n/a |
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece.
Curated by ChEMBL
| Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 5 % DMSO as solvent |
ACS Med Chem Lett 4: 137-41 (2013)
Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50373071
(CHEMBL255489)Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a |
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece.
Curated by ChEMBL
| Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 2.5 % DMSO as solvent |
ACS Med Chem Lett 4: 137-41 (2013)
Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50373071
(CHEMBL255489)Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 5.75E+3 | n/a | n/a | n/a | n/a | n/a |
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece.
Curated by ChEMBL
| Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 2.5 % PEG3350 as solvent |
ACS Med Chem Lett 4: 137-41 (2013)
Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50373071
(CHEMBL255489)Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 6.18E+3 | n/a | n/a | n/a | n/a | n/a |
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece.
Curated by ChEMBL
| Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 5 % PEG3350 as solvent |
ACS Med Chem Lett 4: 137-41 (2013)
Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50373071
(CHEMBL255489)Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 7.34E+3 | n/a | n/a | n/a | n/a | n/a |
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece.
Curated by ChEMBL
| Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 10 % DMSO as solvent |
ACS Med Chem Lett 4: 137-41 (2013)
Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50373071
(CHEMBL255489)Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 7.51E+3 | n/a | n/a | n/a | n/a | n/a |
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece.
Curated by ChEMBL
| Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 2.5 % DMF as solvent |
ACS Med Chem Lett 4: 137-41 (2013)
Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50373071
(CHEMBL255489)Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a |
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece.
Curated by ChEMBL
| Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 2.5 % MeOH as solvent |
ACS Med Chem Lett 4: 137-41 (2013)
Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50373071
(CHEMBL255489)Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 8.44E+3 | n/a | n/a | n/a | n/a | n/a |
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece.
Curated by ChEMBL
| Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 10 % PEG3350 as solvent |
ACS Med Chem Lett 4: 137-41 (2013)
Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50103596
((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...)Show SMILES OC(=O)c1cc(ccc1O)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1 Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | 9.00E+3 | n/a | n/a | n/a | 7.0 | n/a |
Institute of Hematology and Blood Diseases Hospital, Chinese Academy of Medical Sciences and Peking Union Medical College
| Assay Description Surface plasmon resonance (SPR) assays were carried out on a BIAcore 3000 instrument (Biacore, Inc). Briefly, purified hTNFα was dissolved at 32... |
J Biol Chem 289: 12457-66 (2014)
Article DOI: 10.1074/jbc.M113.521708 BindingDB Entry DOI: 10.7270/Q2J9658M |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50373071
(CHEMBL255489)Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 9.77E+3 | n/a | n/a | n/a | n/a | n/a |
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece.
Curated by ChEMBL
| Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 5 % MeOH as solvent |
ACS Med Chem Lett 4: 137-41 (2013)
Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50373071
(CHEMBL255489)Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a |
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece.
Curated by ChEMBL
| Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 10 % MeOH as solvent |
ACS Med Chem Lett 4: 137-41 (2013)
Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50373071
(CHEMBL255489)Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to TNF |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50566085
(CHEMBL4779860) | 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 | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50545753
(CHEMBL4649816)Show SMILES O=C1C[C@@H](CN1Cc1ccccc1)Nc1ncnc2[nH]cnc12 |r| Show InChI InChI=1S/C16H16N6O/c23-13-6-12(8-22(13)7-11-4-2-1-3-5-11)21-16-14-15(18-9-17-14)19-10-20-16/h1-5,9-10,12H,6-8H2,(H2,17,18,19,20,21)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.96E+4 | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology
Curated by ChEMBL
| Assay Description Binding affinity to recombinant TNFalpha (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as Kd for TNF-alpha-TNFR1 binding at 100 ... |
J Med Chem 63: 8146-8156 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00377 BindingDB Entry DOI: 10.7270/Q2JQ14MX |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM56191
(MLS000063267 | SMR000074865 | [1-(2,5-dimethylbenz...)Show InChI InChI=1S/C17H18N2O/c1-12-7-8-13(2)14(9-12)10-19-16-6-4-3-5-15(16)18-17(19)11-20/h3-9,20H,10-11H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to human TNF measured after 6 mins by surface plasmon resonance |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01608 BindingDB Entry DOI: 10.7270/Q25D8WHT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50566079
(CHEMBL4793685) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50545753
(CHEMBL4649816)Show SMILES O=C1C[C@@H](CN1Cc1ccccc1)Nc1ncnc2[nH]cnc12 |r| Show InChI InChI=1S/C16H16N6O/c23-13-6-12(8-22(13)7-11-4-2-1-3-5-11)21-16-14-15(18-9-17-14)19-10-20-16/h1-5,9-10,12H,6-8H2,(H2,17,18,19,20,21)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 8.21E+4 | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology
Curated by ChEMBL
| Assay Description Binding affinity to recombinant TNFalpha (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 10 mins by MST assay |
J Med Chem 63: 8146-8156 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00377 BindingDB Entry DOI: 10.7270/Q2JQ14MX |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50373071
(CHEMBL255489)Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 9.17E+4 | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology
Curated by ChEMBL
| Assay Description Binding affinity to recombinant TNFalpha (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 10 mins by MST assay |
J Med Chem 63: 8146-8156 (2020)
Article DOI: 10.1021/acs.jmedchem.0c00377 BindingDB Entry DOI: 10.7270/Q2JQ14MX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50525149
(CHEMBL4457006)Show SMILES Cc1cccc(C)c1NC(=O)C(Cc1c[nH]c2ccccc12)NCCCc1ccccc1 Show InChI InChI=1S/C28H31N3O/c1-20-10-8-11-21(2)27(20)31-28(32)26(29-17-9-14-22-12-4-3-5-13-22)18-23-19-30-25-16-7-6-15-24(23)25/h3-8,10-13,15-16,19,26,29-30H,9,14,17-18H2,1-2H3,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 9.36E+4 | n/a | n/a | n/a | n/a | n/a |
Shanghai Jiaotong University School of Medicine
Curated by ChEMBL
| Assay Description Binding affinity to human TNFalpha by surface plasmon resonance analysis |
J Med Chem 62: 5370-5381 (2019)
Article DOI: 10.1021/acs.jmedchem.8b02027 BindingDB Entry DOI: 10.7270/Q21R6TZ8 |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50566083
(CHEMBL4777805) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.06E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V |
More data for this Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM3787
(1-Phenylbenzimidazole deriv. 4 | 1-benzyl-1H-1,3-b...)Show InChI InChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 3.00E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50566084
(CHEMBL1507048) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 3.25E+5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Binding affinity to biotinylated human TNFalpha trimer (77 to 233 residues) expressed in Escherichia coli BL21(DE3) by SPR analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01280 BindingDB Entry DOI: 10.7270/Q2DZ0D2V |
More data for this Ligand-Target Pair | |