Found 4 hits in this display 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 |
|---|
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50322465
(2-(4,6-Bis(3-phenylpropoxy)pyrimidin-2-ylthio)hexa...)Show SMILES CCCCC(Sc1nc(OCCCc2ccccc2)cc(OCCCc2ccccc2)n1)C(O)=O Show InChI InChI=1S/C28H34N2O4S/c1-2-3-18-24(27(31)32)35-28-29-25(33-19-10-16-22-12-6-4-7-13-22)21-26(30-28)34-20-11-17-23-14-8-5-9-15-23/h4-9,12-15,21,24H,2-3,10-11,16-20H2,1H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
ZAFES/LiFF/Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description
Inhibition of 5-lipoxygenase-mediated 5(S)-H(p)ETE formation in fMLP-stimulated human PMNL incubated 10 mins prior to fMLP challenge |
J Med Chem 54: 4490-507 (2011)
Article DOI: 10.1021/jm200092b
BindingDB Entry DOI: 10.7270/Q2XG9S8B |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50322465
(2-(4,6-Bis(3-phenylpropoxy)pyrimidin-2-ylthio)hexa...)Show SMILES CCCCC(Sc1nc(OCCCc2ccccc2)cc(OCCCc2ccccc2)n1)C(O)=O Show InChI InChI=1S/C28H34N2O4S/c1-2-3-18-24(27(31)32)35-28-29-25(33-19-10-16-22-12-6-4-7-13-22)21-26(30-28)34-20-11-17-23-14-8-5-9-15-23/h4-9,12-15,21,24H,2-3,10-11,16-20H2,1H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ZAFES/LiFF/Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins by RP-HPLC an... |
J Med Chem 54: 4490-507 (2011)
Article DOI: 10.1021/jm200092b
BindingDB Entry DOI: 10.7270/Q2XG9S8B |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50322465
(2-(4,6-Bis(3-phenylpropoxy)pyrimidin-2-ylthio)hexa...)Show SMILES CCCCC(Sc1nc(OCCCc2ccccc2)cc(OCCCc2ccccc2)n1)C(O)=O Show InChI InChI=1S/C28H34N2O4S/c1-2-3-18-24(27(31)32)35-28-29-25(33-19-10-16-22-12-6-4-7-13-22)21-26(30-28)34-20-11-17-23-14-8-5-9-15-23/h4-9,12-15,21,24H,2-3,10-11,16-20H2,1H3,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ZAFES/LiFF/Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant 5-lipoxygenase-mediated product formation from arachidonic acid after 5 to 10 mins by HPLC analysis |
J Med Chem 54: 4490-507 (2011)
Article DOI: 10.1021/jm200092b
BindingDB Entry DOI: 10.7270/Q2XG9S8B |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50322465
(2-(4,6-Bis(3-phenylpropoxy)pyrimidin-2-ylthio)hexa...)Show SMILES CCCCC(Sc1nc(OCCCc2ccccc2)cc(OCCCc2ccccc2)n1)C(O)=O Show InChI InChI=1S/C28H34N2O4S/c1-2-3-18-24(27(31)32)35-28-29-25(33-19-10-16-22-12-6-4-7-13-22)21-26(30-28)34-20-11-17-23-14-8-5-9-15-23/h4-9,12-15,21,24H,2-3,10-11,16-20H2,1H3,(H,31,32) | 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 | n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a |
ZAFES/LiFF/Goethe University Frankfurt
Curated by ChEMBL
| Assay Description
Agonist activity at human PPARgamma-LBD expressed in COS7 cells cotransfected with Gal4 by luciferase based transactivation assay |
J Med Chem 53: 4691-700 (2010)
Article DOI: 10.1021/jm1003073
BindingDB Entry DOI: 10.7270/Q2N016PB |
More data for this
Ligand-Target Pair | |