Found 26 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50003684 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 |
|---|
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474826
(CHEMBL330282)Show SMILES CC[C@H](C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12 Show InChI InChI=1S/C20H22FN5O/c1-3-13(2)23-20-22-10-9-16(24-20)18-17(14-5-7-15(21)8-6-14)19(27)26-12-4-11-25(18)26/h5-10,13H,3-4,11-12H2,1-2H3,(H,22,23,24)/t13-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474810
(CHEMBL92082)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccccc1 Show InChI InChI=1S/C24H22FN5O/c1-16(17-6-3-2-4-7-17)27-24-26-13-12-20(28-24)22-21(18-8-10-19(25)11-9-18)23(31)30-15-5-14-29(22)30/h2-4,6-13,16H,5,14-15H2,1H3,(H,26,27,28)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474831
(CHEMBL92415)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(Nc3c(Cl)cccc3Cl)n2)n2CCCn2c1=O Show InChI InChI=1S/C22H16Cl2FN5O/c23-15-3-1-4-16(24)19(15)28-22-26-10-9-17(27-22)20-18(13-5-7-14(25)8-6-13)21(31)30-12-2-11-29(20)30/h1,3-10H,2,11-12H2,(H,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474829
(CHEMBL433211)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(Nc3c(F)cccc3F)n2)n2CCCn2c1=O Show InChI InChI=1S/C22H16F3N5O/c23-14-7-5-13(6-8-14)18-20(29-11-2-12-30(29)21(18)31)17-9-10-26-22(27-17)28-19-15(24)3-1-4-16(19)25/h1,3-10H,2,11-12H2,(H,26,27,28) | PDB
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UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474817
(CHEMBL93281)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)C(C)(C)O Show InChI InChI=1S/C21H24FN5O2/c1-13(21(2,3)29)24-20-23-10-9-16(25-20)18-17(14-5-7-15(22)8-6-14)19(28)27-12-4-11-26(18)27/h5-10,13,29H,4,11-12H2,1-3H3,(H,23,24,25)/t13-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474834
(CHEMBL90182)Show SMILES CC(C)(C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12 Show InChI InChI=1S/C20H22FN5O/c1-20(2,3)24-19-22-10-9-15(23-19)17-16(13-5-7-14(21)8-6-13)18(27)26-12-4-11-25(17)26/h5-10H,4,11-12H2,1-3H3,(H,22,23,24) | PDB
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UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
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 |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474830
(CHEMBL90597)Show SMILES C[C@@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccccc1 Show InChI InChI=1S/C24H22FN5O/c1-16(17-6-3-2-4-7-17)27-24-26-13-12-20(28-24)22-21(18-8-10-19(25)11-9-18)23(31)30-15-5-14-29(22)30/h2-4,6-13,16H,5,14-15H2,1H3,(H,26,27,28)/t16-/m1/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474812
(CHEMBL93282)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCCn12)c1ccccc1 Show InChI InChI=1S/C25H24FN5O/c1-17(18-7-3-2-4-8-18)28-25-27-14-13-21(29-25)23-22(19-9-11-20(26)12-10-19)24(32)31-16-6-5-15-30(23)31/h2-4,7-14,17H,5-6,15-16H2,1H3,(H,27,28,29)/t17-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474820
(CHEMBL90071)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(NCC=C)n2)n2CCCn2c1=O Show InChI InChI=1S/C19H18FN5O/c1-2-9-21-19-22-10-8-15(23-19)17-16(13-4-6-14(20)7-5-13)18(26)25-12-3-11-24(17)25/h2,4-8,10H,1,3,9,11-12H2,(H,21,22,23) | PDB
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UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474813
(CHEMBL328077)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccc(C)cc1 Show InChI InChI=1S/C25H24FN5O/c1-16-4-6-18(7-5-16)17(2)28-25-27-13-12-21(29-25)23-22(19-8-10-20(26)11-9-19)24(32)31-15-3-14-30(23)31/h4-13,17H,3,14-15H2,1-2H3,(H,27,28,29)/t17-/m0/s1 | PDB
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UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474827
(CHEMBL93857)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)C1CCCCC1 Show InChI InChI=1S/C24H28FN5O/c1-16(17-6-3-2-4-7-17)27-24-26-13-12-20(28-24)22-21(18-8-10-19(25)11-9-18)23(31)30-15-5-14-29(22)30/h8-13,16-17H,2-7,14-15H2,1H3,(H,26,27,28)/t16-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474811
(CHEMBL316065)Show SMILES COC[C@H](C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12 Show InChI InChI=1S/C20H22FN5O2/c1-13(12-28-2)23-20-22-9-8-16(24-20)18-17(14-4-6-15(21)7-5-14)19(27)26-11-3-10-25(18)26/h4-9,13H,3,10-12H2,1-2H3,(H,22,23,24)/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50045333
(CHEBI:90705 | SB-203580)Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1 | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474824
(CHEMBL94171)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(NCc3ccccc3)n2)n2CCCn2c1=O Show InChI InChI=1S/C23H20FN5O/c24-18-9-7-17(8-10-18)20-21(28-13-4-14-29(28)22(20)30)19-11-12-25-23(27-19)26-15-16-5-2-1-3-6-16/h1-3,5-12H,4,13-15H2,(H,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474818
(CHEMBL94178)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(NC3CC3)n2)n2CCCn2c1=O Show InChI InChI=1S/C19H18FN5O/c20-13-4-2-12(3-5-13)16-17(24-10-1-11-25(24)18(16)26)15-8-9-21-19(23-15)22-14-6-7-14/h2-5,8-9,14H,1,6-7,10-11H2,(H,21,22,23) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474825
(CHEMBL419874)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(Nc3ccccc3)n2)n2CCCn2c1=O Show InChI InChI=1S/C22H18FN5O/c23-16-9-7-15(8-10-16)19-20(27-13-4-14-28(27)21(19)29)18-11-12-24-22(26-18)25-17-5-2-1-3-6-17/h1-3,5-12H,4,13-14H2,(H,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474816
(CHEMBL90424)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(NCC3CC3)n2)n2CCCn2c1=O Show InChI InChI=1S/C20H20FN5O/c21-15-6-4-14(5-7-15)17-18(25-10-1-11-26(25)19(17)27)16-8-9-22-20(24-16)23-12-13-2-3-13/h4-9,13H,1-3,10-12H2,(H,22,23,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474815
(CHEMBL93795)Show SMILES CC[C@H](C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCCn12 Show InChI InChI=1S/C21H24FN5O/c1-3-14(2)24-21-23-11-10-17(25-21)19-18(15-6-8-16(22)9-7-15)20(28)27-13-5-4-12-26(19)27/h6-11,14H,3-5,12-13H2,1-2H3,(H,23,24,25)/t14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474821
(CHEMBL328756)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(NCc3cccnc3)n2)n2CCCn2c1=O Show InChI InChI=1S/C22H19FN6O/c23-17-6-4-16(5-7-17)19-20(28-11-2-12-29(28)21(19)30)18-8-10-25-22(27-18)26-14-15-3-1-9-24-13-15/h1,3-10,13H,2,11-12,14H2,(H,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474819
(CHEMBL90581)Show SMILES COC(=O)[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12)c1ccccc1 Show InChI InChI=1S/C25H22FN5O3/c1-34-24(33)21(17-6-3-2-4-7-17)29-25-27-13-12-19(28-25)22-20(16-8-10-18(26)11-9-16)23(32)31-15-5-14-30(22)31/h2-4,6-13,21H,5,14-15H2,1H3,(H,27,28,29)/t21-/m1/s1 | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474828
(CHEMBL327477)Show SMILES C[C@H](Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCCn12)C(C)(C)O Show InChI InChI=1S/C22H26FN5O2/c1-14(22(2,3)30)25-21-24-11-10-17(26-21)19-18(15-6-8-16(23)9-7-15)20(29)28-13-5-4-12-27(19)28/h6-11,14,30H,4-5,12-13H2,1-3H3,(H,24,25,26)/t14-/m0/s1 | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474822
(CHEMBL90343)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(NCc3ccccn3)n2)n2CCCn2c1=O Show InChI InChI=1S/C22H19FN6O/c23-16-7-5-15(6-8-16)19-20(28-12-3-13-29(28)21(19)30)18-9-11-25-22(27-18)26-14-17-4-1-2-10-24-17/h1-2,4-11H,3,12-14H2,(H,25,26,27) | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474833
(CHEMBL329769)Show SMILES COCCCNc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCn12 Show InChI InChI=1S/C20H22FN5O2/c1-28-13-2-9-22-20-23-10-8-16(24-20)18-17(14-4-6-15(21)7-5-14)19(27)26-12-3-11-25(18)26/h4-8,10H,2-3,9,11-13H2,1H3,(H,22,23,24) | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474814
(CHEMBL329910)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(Nc3c(Cl)ncnc3Cl)n2)n2CCCn2c1=O Show InChI InChI=1S/C20H14Cl2FN7O/c21-17-15(18(22)26-10-25-17)28-20-24-7-6-13(27-20)16-14(11-2-4-12(23)5-3-11)19(31)30-9-1-8-29(16)30/h2-7,10H,1,8-9H2,(H,24,27,28) | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474832
(CHEMBL330544)Show SMILES COC[C@H](C)Nc1nccc(n1)-c1c(-c2ccc(F)cc2)c(=O)n2CCCCn12 Show InChI InChI=1S/C21H24FN5O2/c1-14(13-29-2)24-21-23-10-9-17(25-21)19-18(15-5-7-16(22)8-6-15)20(28)27-12-4-3-11-26(19)27/h5-10,14H,3-4,11-13H2,1-2H3,(H,23,24,25)/t14-/m0/s1 | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50474823
(CHEMBL330254)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(Nc3ccccn3)n2)n2CCCn2c1=O Show InChI InChI=1S/C21H17FN6O/c22-15-7-5-14(6-8-15)18-19(27-12-3-13-28(27)20(18)29)16-9-11-24-21(25-16)26-17-4-1-2-10-23-17/h1-2,4-11H,3,12-13H2,(H,23,24,25,26) | PDB
KEGG
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antibodypedia
antibodypedia
antibodypedia
antibodypedia
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibitory activity against LPS-stimulated TNF-alpha production in human monocytic cells (THP-1) |
J Med Chem 47: 2724-7 (2004)
Article DOI: 10.1021/jm049968m
BindingDB Entry DOI: 10.7270/Q2ZC85NQ |
More data for this
Ligand-Target Pair | |
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