Found 26 hits of Enzyme Inhibition Constant Data 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 |
|---|
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052612
(3-(5-Amino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-...)Show SMILES COC(=O)CC(N1C(=O)c2ccc(N)cc2C1=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C20H20N2O6/c1-26-16-7-4-11(8-17(16)27-2)15(10-18(23)28-3)22-19(24)13-6-5-12(21)9-14(13)20(22)25/h4-9,15H,10,21H2,1-3H3 | 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 | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052602
(3-(4-Amino-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-...)Show SMILES COC(=O)CC(N1C(=O)c2cccc(N)c2C1=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C20H20N2O6/c1-26-15-8-7-11(9-16(15)27-2)14(10-17(23)28-3)22-19(24)12-5-4-6-13(21)18(12)20(22)25/h4-9,14H,10,21H2,1-3H3 | 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 | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052596
(3-(3,4-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-...)Show SMILES COC(=O)CC(N1C(=O)c2ccccc2C1=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C20H19NO6/c1-25-16-9-8-12(10-17(16)26-2)15(11-18(22)27-3)21-19(23)13-6-4-5-7-14(13)20(21)24/h4-10,15H,11H2,1-3H3 | 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 | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052605
(3-(5-tert-Butyl-1,3-dioxo-1,3-dihydro-isoindol-2-y...)Show SMILES COC(=O)CC(N1C(=O)c2ccc(cc2C1=O)C(C)(C)C)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C24H27NO6/c1-24(2,3)15-8-9-16-17(12-15)23(28)25(22(16)27)18(13-21(26)31-6)14-7-10-19(29-4)20(11-14)30-5/h7-12,18H,13H2,1-6H3 | 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 | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052608
(3-(3,4-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-...)Show SMILES COC(=O)CC(N1C(=O)c2cc3ccccc3cc2C1=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C24H21NO6/c1-29-20-9-8-16(12-21(20)30-2)19(13-22(26)31-3)25-23(27)17-10-14-6-4-5-7-15(14)11-18(17)24(25)28/h4-12,19H,13H2,1-3H3 | 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 | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052595
(3-(3,4-Diethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-i...)Show SMILES CCOc1ccc(cc1OCC)C(CC(N)=O)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H22N2O5/c1-3-27-17-10-9-13(11-18(17)28-4-2)16(12-19(22)24)23-20(25)14-7-5-6-8-15(14)21(23)26/h5-11,16H,3-4,12H2,1-2H3,(H2,22,24) | 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 | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052611
(2-[1-(3,4-Dimethoxy-phenyl)-3-hydroxy-propyl]-isoi...)Show InChI InChI=1S/C19H19NO5/c1-24-16-8-7-12(11-17(16)25-2)15(9-10-21)20-18(22)13-5-3-4-6-14(13)19(20)23/h3-8,11,15,21H,9-10H2,1-2H3 | 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 | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052613
(3-(4,7-Dichloro-1,3-dioxo-1,3-dihydro-isoindol-2-y...)Show SMILES COC(=O)CC(N1C(=O)c2c(C1=O)c(Cl)ccc2Cl)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C20H17Cl2NO6/c1-27-14-7-4-10(8-15(14)28-2)13(9-16(24)29-3)23-19(25)17-11(21)5-6-12(22)18(17)20(23)26/h4-8,13H,9H2,1-3H3 | 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 | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity of TNF-alpha was measured in the supernatant of human PBMCs stimulated with LPS. |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052606
(3-(3,4-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-...)Show SMILES CNC(=O)CC(N1C(=O)c2ccccc2C1=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C20H20N2O5/c1-21-18(23)11-15(12-8-9-16(26-2)17(10-12)27-3)22-19(24)13-6-4-5-7-14(13)20(22)25/h4-10,15H,11H2,1-3H3,(H,21,23) | 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 |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052599
(3-(3,4-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-...)Show SMILES COc1ccc(cc1OC)C(CC(N)=O)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C19H18N2O5/c1-25-15-8-7-11(9-16(15)26-2)14(10-17(20)22)21-18(23)12-5-3-4-6-13(12)19(21)24/h3-9,14H,10H2,1-2H3,(H2,20,22) | 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 | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052600
(3-(5,6-Dichloro-1,3-dioxo-1,3-dihydro-isoindol-2-y...)Show SMILES COC(=O)CC(N1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C20H17Cl2NO6/c1-27-16-5-4-10(6-17(16)28-2)15(9-18(24)29-3)23-19(25)11-7-13(21)14(22)8-12(11)20(23)26/h4-8,15H,9H2,1-3H3 | 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 | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity of TNF-alpha was measured in the supernatant of human PBMCs stimulated with LPS. |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052619
(3-(3,4-Dimethoxy-phenyl)-3-(4-hydroxy-1,3-dioxo-1,...)Show SMILES COC(=O)CC(N1C(=O)c2cccc(O)c2C1=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C20H19NO7/c1-26-15-8-7-11(9-16(15)27-2)13(10-17(23)28-3)21-19(24)12-5-4-6-14(22)18(12)20(21)25/h4-9,13,22H,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 | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052615
(3-(3,4-Dimethoxy-phenyl)-3-(5-nitro-1,3-dioxo-1,3-...)Show SMILES COC(=O)CC(N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C20H18N2O8/c1-28-16-7-4-11(8-17(16)29-2)15(10-18(23)30-3)21-19(24)13-6-5-12(22(26)27)9-14(13)20(21)25/h4-9,15H,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 | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity of TNF-alpha was measured in the supernatant of human PBMCs stimulated with LPS. |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052617
(3-(3,5-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-...)Show SMILES COc1cc(OC)cc(c1)C(CC(N)=O)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C19H18N2O5/c1-25-12-7-11(8-13(9-12)26-2)16(10-17(20)22)21-18(23)14-5-3-4-6-15(14)19(21)24/h3-9,16H,10H2,1-2H3,(H2,20,22) | 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 | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052609
(3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-naphthal...)Show SMILES NC(=O)CC(N1C(=O)c2ccccc2C1=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C21H16N2O3/c22-19(24)12-18(15-10-9-13-5-1-2-6-14(13)11-15)23-20(25)16-7-3-4-8-17(16)21(23)26/h1-11,18H,12H2,(H2,22,24) | 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 | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052610
(3-(3,4-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-...)Show SMILES CCNC(=O)CC(N1C(=O)c2ccccc2C1=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C21H22N2O5/c1-4-22-19(24)12-16(13-9-10-17(27-2)18(11-13)28-3)23-20(25)14-7-5-6-8-15(14)21(23)26/h5-11,16H,4,12H2,1-3H3,(H,22,24) | 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 | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052607
(3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(3,4-dip...)Show SMILES CCCOc1ccc(cc1OCCC)C(CC(N)=O)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C23H26N2O5/c1-3-11-29-19-10-9-15(13-20(19)30-12-4-2)18(14-21(24)26)25-22(27)16-7-5-6-8-17(16)23(25)28/h5-10,13,18H,3-4,11-12,14H2,1-2H3,(H2,24,26) | 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 | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052618
(3-(3,4-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-...)Show SMILES COc1ccc(cc1OC)C(CC(O)=O)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C19H17NO6/c1-25-15-8-7-11(9-16(15)26-2)14(10-17(21)22)20-18(23)12-5-3-4-6-13(12)19(20)24/h3-9,14H,10H2,1-2H3,(H,21,22) | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052603
(3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(4-metho...)Show InChI InChI=1S/C18H16N2O4/c1-24-12-8-6-11(7-9-12)15(10-16(19)21)20-17(22)13-4-2-3-5-14(13)18(20)23/h2-9,15H,10H2,1H3,(H2,19,21) | 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 | 6.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052604
(3-(3,4-Dimethoxy-phenyl)-3-(4-nitro-1,3-dioxo-1,3-...)Show SMILES COC(=O)CC(N1C(=O)c2cccc(c2C1=O)[N+]([O-])=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C20H18N2O8/c1-28-15-8-7-11(9-16(15)29-2)14(10-17(23)30-3)21-19(24)12-5-4-6-13(22(26)27)18(12)20(21)25/h4-9,14H,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 | 6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity of TNF-alpha was measured in the supernatant of human PBMCs stimulated with LPS. |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052616
(3-(3,4-Dichloro-phenyl)-3-(1,3-dioxo-1,3-dihydro-i...)Show SMILES NC(=O)CC(N1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H12Cl2N2O3/c18-12-6-5-9(7-13(12)19)14(8-15(20)22)21-16(23)10-3-1-2-4-11(10)17(21)24/h1-7,14H,8H2,(H2,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 7.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052598
(CHEMBL109264 | N-Benzyl-3-(3,4-dimethoxy-phenyl)-3...)Show SMILES COc1ccc(cc1OC)C(CC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C26H24N2O5/c1-32-22-13-12-18(14-23(22)33-2)21(15-24(29)27-16-17-8-4-3-5-9-17)28-25(30)19-10-6-7-11-20(19)26(28)31/h3-14,21H,15-16H2,1-2H3,(H,27,29) | 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 | 8.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052597
(3-(3-Cyano-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoind...)Show InChI InChI=1S/C18H13N3O3/c19-10-11-4-3-5-12(8-11)15(9-16(20)22)21-17(23)13-6-1-2-7-14(13)18(21)24/h1-8,15H,9H2,(H2,20,22) | 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 | 8.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052601
(3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(3-metho...)Show InChI InChI=1S/C18H16N2O4/c1-24-12-6-4-5-11(9-12)15(10-16(19)21)20-17(22)13-7-2-3-8-14(13)18(20)23/h2-9,15H,10H2,1H3,(H2,19,21) | 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+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052614
(3-(4-Cyano-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoind...)Show InChI InChI=1S/C18H13N3O3/c19-10-11-5-7-12(8-6-11)15(9-16(20)22)21-17(23)13-3-1-2-4-14(13)18(21)24/h1-8,15H,9H2,(H2,20,22) | 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 | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
Tumor necrosis factor
(Homo sapiens (Human)) | BDBM50052620
(3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-phenyl-p...)Show InChI InChI=1S/C17H14N2O3/c18-15(20)10-14(11-6-2-1-3-7-11)19-16(21)12-8-4-5-9-13(12)17(19)22/h1-9,14H,10H2,(H2,18,20) | 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 | 2.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs |
J Med Chem 39: 3238-40 (1996)
Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q |
More data for this
Ligand-Target Pair | |
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