Found 203 hits with Last Name = 'mekel' and Initial = 'm' 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)) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of LPS-stimulated p38-related TNF-alpha production in human peripheral blood mononuclear cells (PBMC) |
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 | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of LPS-stimulated p38-related IL1-beta production in human peripheral blood mononuclear cells (PBMC) |
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 | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50193734
(2-{[3-(4-methoxy-phenyl)-1-(3-trifluoromethyl-benz...)Show SMILES COC(=O)c1ccccc1S(=O)(=O)NC(=O)c1c(-c2ccc(OC)cc2)c2ccccc2n1Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C32H25F3N2O6S/c1-42-23-16-14-21(15-17-23)28-24-10-3-5-12-26(24)37(19-20-8-7-9-22(18-20)32(33,34)35)29(28)30(38)36-44(40,41)27-13-6-4-11-25(27)31(39)43-2/h3-18H,19H2,1-2H3,(H,36,38) | PDB
MMDB
NCI pathway
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 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of Fluormone from PPAR gamma |
Bioorg Med Chem Lett 16: 5659-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.003
BindingDB Entry DOI: 10.7270/Q2K35T8B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50193736
(1-(3-(trifluoromethyl)benzyl)-3-(4-methoxyphenyl)-...)Show SMILES COc1ccc(cc1)-c1c(C(=O)NS(C)(=O)=O)n(Cc2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C25H21F3N2O4S/c1-34-19-12-10-17(11-13-19)22-20-8-3-4-9-21(20)30(23(22)24(31)29-35(2,32)33)15-16-6-5-7-18(14-16)25(26,27)28/h3-14H,15H2,1-2H3,(H,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of Fluormone from PPAR gamma |
Bioorg Med Chem Lett 16: 5659-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.003
BindingDB Entry DOI: 10.7270/Q2K35T8B |
More data for this
Ligand-Target Pair | |
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
KEGG
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 | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50193748
(1-(3-(trifluoromethyl)benzyl)-3-(4-methoxyphenyl)-...)Show SMILES COc1ccc(cc1)-c1c(C(=O)NS(=O)(=O)c2ccccc2)n(Cc2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C30H23F3N2O4S/c1-39-23-16-14-21(15-17-23)27-25-12-5-6-13-26(25)35(19-20-8-7-9-22(18-20)30(31,32)33)28(27)29(36)34-40(37,38)24-10-3-2-4-11-24/h2-18H,19H2,1H3,(H,34,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
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
Displacement of Fluormone from PPAR gamma |
Bioorg Med Chem Lett 16: 5659-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.003
BindingDB Entry DOI: 10.7270/Q2K35T8B |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50195334
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(2-(diethylamino...)Show SMILES CCN(CC)CCNc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12 Show InChI InChI=1S/C24H29N7O/c1-4-30(5-2)13-12-25-22-15-23(27-20-14-18(32)11-10-17(20)3)29-24(28-22)31-16-26-19-8-6-7-9-21(19)31/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,25,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| 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
Inhibition of human recombinant Lck by ProFlour assay |
Bioorg Med Chem Lett 16: 5973-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50195351
(1-(3-(2,5-dimethylbenzyl)-5-(3-cyclohexylpropyl)ph...)Show SMILES Cc1ccc(O)cc1Nc1cc(OCCN2CCOCC2)nc(n1)-n1cnc2ccccc12 Show InChI InChI=1S/C24H26N6O3/c1-17-6-7-18(31)14-20(17)26-22-15-23(33-13-10-29-8-11-32-12-9-29)28-24(27-22)30-16-25-19-4-2-3-5-21(19)30/h2-7,14-16,31H,8-13H2,1H3,(H,26,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Inhibition of human recombinant Lck by ProFlour assay |
Bioorg Med Chem Lett 16: 5973-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50195345
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(4-methylpiperaz...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12 Show InChI InChI=1S/C23H25N7O/c1-16-7-8-17(31)13-19(16)25-21-14-22(29-11-9-28(2)10-12-29)27-23(26-21)30-15-24-18-5-3-4-6-20(18)30/h3-8,13-15,31H,9-12H2,1-2H3,(H,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Inhibition of human recombinant Lck by ProFlour assay |
Bioorg Med Chem Lett 16: 5973-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P |
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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50195340
(3-(4-(benzo[d]isoxazol-3-yl)pyrimidin-2-ylamino)-4...)Show InChI InChI=1S/C18H14N4O2/c1-11-6-7-12(23)10-15(11)21-18-19-9-8-14(20-18)17-13-4-2-3-5-16(13)24-22-17/h2-10,23H,1H3,(H,19,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lck by ProFlour assay |
Bioorg Med Chem Lett 16: 5973-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P |
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
KEGG
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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50195354
(CHEMBL220924 | N1-(4-(benzo[d]isoxazol-3-yl)pyrimi...)Show InChI InChI=1S/C18H15N5O/c1-11-6-7-12(19)10-15(11)22-18-20-9-8-14(21-18)17-13-4-2-3-5-16(13)24-23-17/h2-10H,19H2,1H3,(H,20,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lck by ProFlour assay |
Bioorg Med Chem Lett 16: 5973-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50193751
(1-(3-(trifluoromethyl)benzyl)-3-(4-methoxyphenyl)-...)Show SMILES COc1ccc(cc1)-c1c(C(=O)NS(=O)(=O)c2ccccc2C)n(Cc2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C31H25F3N2O4S/c1-20-8-3-6-13-27(20)41(38,39)35-30(37)29-28(22-14-16-24(40-2)17-15-22)25-11-4-5-12-26(25)36(29)19-21-9-7-10-23(18-21)31(32,33)34/h3-18H,19H2,1-2H3,(H,35,37) | PDB
MMDB
NCI pathway
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 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of Fluormone from PPAR gamma |
Bioorg Med Chem Lett 16: 5659-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.003
BindingDB Entry DOI: 10.7270/Q2K35T8B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50193744
(1-(3-(trifluoromethyl)benzyl)-N-(4-fluorophenylsul...)Show SMILES COc1ccc(cc1)-c1c(C(=O)NS(=O)(=O)c2ccc(F)cc2)n(Cc2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C30H22F4N2O4S/c1-40-23-13-9-20(10-14-23)27-25-7-2-3-8-26(25)36(18-19-5-4-6-21(17-19)30(32,33)34)28(27)29(37)35-41(38,39)24-15-11-22(31)12-16-24/h2-17H,18H2,1H3,(H,35,37) | PDB
MMDB
NCI pathway
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 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of Fluormone from PPAR gamma |
Bioorg Med Chem Lett 16: 5659-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.003
BindingDB Entry DOI: 10.7270/Q2K35T8B |
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
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of LPS-stimulated p38-related TNF-alpha production in human peripheral blood mononuclear cells (PBMC) |
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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human Mitogen-activated protein kinase p38 |
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)) | BDBM15244
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)| Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of p38 |
Bioorg Med Chem Lett 16: 4360-5 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.050
BindingDB Entry DOI: 10.7270/Q2QF8WMG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of LPS-stimulated p38-related TNF-alpha production in human peripheral blood mononuclear cells (PBMC) |
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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50195338
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(2-morpholinoeth...)Show SMILES Cc1ccc(O)cc1Nc1cc(NCCN2CCOCC2)nc(n1)-n1cnc2ccccc12 Show InChI InChI=1S/C24H27N7O2/c1-17-6-7-18(32)14-20(17)27-23-15-22(25-8-9-30-10-12-33-13-11-30)28-24(29-23)31-16-26-19-4-2-3-5-21(19)31/h2-7,14-16,32H,8-13H2,1H3,(H2,25,27,28,29) | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lck by ProFlour assay |
Bioorg Med Chem Lett 16: 5973-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P |
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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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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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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50195329
(3-(2-(1H-benzo[d]imidazol-1-yl)pyrimidin-4-ylamino...)Show InChI InChI=1S/C18H15N5O/c1-12-6-7-13(24)10-15(12)21-17-8-9-19-18(22-17)23-11-20-14-4-2-3-5-16(14)23/h2-11,24H,1H3,(H,19,21,22) | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lck by ProFlour assay |
Bioorg Med Chem Lett 16: 5973-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P |
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
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human Mitogen-activated protein kinase p38 |
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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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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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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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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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
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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)) | 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
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of LPS-stimulated p38-related IL1-beta production in human peripheral blood mononuclear cells (PBMC) |
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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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of LPS-stimulated p38-related IL1-beta production in human peripheral blood mononuclear cells (PBMC) |
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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50195342
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-((1-methylpiperi...)Show SMILES CN1CCC(Cc2cc(Nc3cc(O)ccc3C)nc(n2)-n2cnc3ccccc23)CC1 Show InChI InChI=1S/C25H28N6O/c1-17-7-8-20(32)15-22(17)28-24-14-19(13-18-9-11-30(2)12-10-18)27-25(29-24)31-16-26-21-5-3-4-6-23(21)31/h3-8,14-16,18,32H,9-13H2,1-2H3,(H,27,28,29) | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lck by ProFlour assay |
Bioorg Med Chem Lett 16: 5973-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50195331
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(3-(dimethylamin...)Show SMILES CN(C)CCCNc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12 Show InChI InChI=1S/C23H27N7O/c1-16-9-10-17(31)13-19(16)26-22-14-21(24-11-6-12-29(2)3)27-23(28-22)30-15-25-18-7-4-5-8-20(18)30/h4-5,7-10,13-15,31H,6,11-12H2,1-3H3,(H2,24,26,27,28) | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lck by ProFlour assay |
Bioorg Med Chem Lett 16: 5973-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50195352
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(2-(4-methylpipe...)Show SMILES CN1CCN(CCNc2cc(Nc3cc(O)ccc3C)nc(n2)-n2cnc3ccccc23)CC1 Show InChI InChI=1S/C25H30N8O/c1-18-7-8-19(34)15-21(18)28-24-16-23(26-9-10-32-13-11-31(2)12-14-32)29-25(30-24)33-17-27-20-5-3-4-6-22(20)33/h3-8,15-17,34H,9-14H2,1-2H3,(H2,26,28,29,30) | PDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lck by ProFlour assay |
Bioorg Med Chem Lett 16: 5973-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase HCK
(Homo sapiens (Human)) | BDBM50195334
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(2-(diethylamino...)Show SMILES CCN(CC)CCNc1cc(Nc2cc(O)ccc2C)nc(n1)-n1cnc2ccccc12 Show InChI InChI=1S/C24H29N7O/c1-4-30(5-2)13-12-25-22-15-23(27-20-14-18(32)11-10-17(20)3)29-24(28-22)31-16-26-19-8-6-7-9-21(19)31/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,25,27,28,29) | PDB
MMDB
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Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Hck by ProFlour assay |
Bioorg Med Chem Lett 16: 5973-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50165872
(CHEMBL196369 | [4-(4-Fluoro-phenyl)-5-oxo-3-(2-phe...)Show SMILES Fc1ccc(cc1)-c1c(-c2ccnc(Oc3ccccc3)n2)n(CC=O)oc1=O Show InChI InChI=1S/C21H14FN3O4/c22-15-8-6-14(7-9-15)18-19(25(12-13-26)29-20(18)27)17-10-11-23-21(24-17)28-16-4-2-1-3-5-16/h1-11,13H,12H2 | PDB
MMDB
NCI pathway
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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of mitogen-activated protein kinase p38 alpha |
Bioorg Med Chem Lett 15: 2399-403 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.066
BindingDB Entry DOI: 10.7270/Q29P316J |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50193733
(1-(3-(benzyloxy)benzyl)-N-(3-(trifluoromethyl)phen...)Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)NC(=O)c1cc2ccccc2n1Cc1cccc(OCc2ccccc2)c1 Show InChI InChI=1S/C30H23F3N2O4S/c31-30(32,33)24-12-7-14-26(18-24)40(37,38)34-29(36)28-17-23-11-4-5-15-27(23)35(28)19-22-10-6-13-25(16-22)39-20-21-8-2-1-3-9-21/h1-18H,19-20H2,(H,34,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Displacement of Fluormone from PPAR gamma |
Bioorg Med Chem Lett 16: 5659-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.003
BindingDB Entry DOI: 10.7270/Q2K35T8B |
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)) | 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
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human Mitogen-activated protein kinase p38 |
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 | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50193729
(1-(3-(trifluoromethyl)benzyl)-3-(4-methoxyphenyl)-...)Show SMILES COc1ccc(cc1)-c1c(C(=O)NS(=O)(=O)c2cccc(c2)C(F)(F)F)n(Cc2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C31H22F6N2O4S/c1-43-23-14-12-20(13-15-23)27-25-10-2-3-11-26(25)39(18-19-6-4-7-21(16-19)30(32,33)34)28(27)29(40)38-44(41,42)24-9-5-8-22(17-24)31(35,36)37/h2-17H,18H2,1H3,(H,38,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of Fluormone from PPAR gamma |
Bioorg Med Chem Lett 16: 5659-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.003
BindingDB Entry DOI: 10.7270/Q2K35T8B |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50195343
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(2-(4-methylpipe...)Show SMILES CN1CCN(CCOc2cc(Nc3cc(O)ccc3C)nc(n2)-n2cnc3ccccc23)CC1 Show InChI InChI=1S/C25H29N7O2/c1-18-7-8-19(33)15-21(18)27-23-16-24(34-14-13-31-11-9-30(2)10-12-31)29-25(28-23)32-17-26-20-5-3-4-6-22(20)32/h3-8,15-17,33H,9-14H2,1-2H3,(H,27,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lck by ProFlour assay |
Bioorg Med Chem Lett 16: 5973-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50195344
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-methoxypyrimidin...)Show InChI InChI=1S/C19H17N5O2/c1-12-7-8-13(25)9-15(12)21-17-10-18(26-2)23-19(22-17)24-11-20-14-5-3-4-6-16(14)24/h3-11,25H,1-2H3,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lck by ProFlour assay |
Bioorg Med Chem Lett 16: 5973-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P |
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
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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 | |
Tyrosine-protein kinase Lck
(Homo sapiens (Human)) | BDBM50195346
(3-(2-(1H-benzo[d]imidazol-1-yl)-6-(methylamino)pyr...)Show InChI InChI=1S/C19H18N6O/c1-12-7-8-13(26)9-15(12)22-18-10-17(20-2)23-19(24-18)25-11-21-14-5-3-4-6-16(14)25/h3-11,26H,1-2H3,(H2,20,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Lck by ProFlour assay |
Bioorg Med Chem Lett 16: 5973-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.132
BindingDB Entry DOI: 10.7270/Q2028R5P |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50193742
(1-(3-(trifluoromethyl)benzyl)-N-(2-(trifluoromethy...)Show SMILES FC(F)(F)c1cccc(Cn2c(cc3ccccc23)C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C24H16F6N2O3S/c25-23(26,27)17-8-5-6-15(12-17)14-32-19-10-3-1-7-16(19)13-20(32)22(33)31-36(34,35)21-11-4-2-9-18(21)24(28,29)30/h1-13H,14H2,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Displacement of Fluormone from PPAR gamma |
Bioorg Med Chem Lett 16: 5659-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.003
BindingDB Entry DOI: 10.7270/Q2K35T8B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50193750
(1-(3-(trifluoromethyl)benzyl)-N-(3-(trifluoromethy...)Show SMILES FC(F)(F)c1cccc(Cn2c(cc3ccccc23)C(=O)NS(=O)(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C24H16F6N2O3S/c25-23(26,27)17-7-3-5-15(11-17)14-32-20-10-2-1-6-16(20)12-21(32)22(33)31-36(34,35)19-9-4-8-18(13-19)24(28,29)30/h1-13H,14H2,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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
Displacement of Fluormone from PPAR gamma |
Bioorg Med Chem Lett 16: 5659-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.003
BindingDB Entry DOI: 10.7270/Q2K35T8B |
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 | |
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