Found 2 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 |
|---|
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50180652
(CHEMBL3819527)Show SMILES CN1CCN(CC(=O)N2N=C3C(CCC\C3=C/c3ccccc3)C2c2ccccc2)CC1 |c:9| Show InChI InChI=1S/C27H32N4O/c1-29-15-17-30(18-16-29)20-25(32)31-27(22-11-6-3-7-12-22)24-14-8-13-23(26(24)28-31)19-21-9-4-2-5-10-21/h2-7,9-12,19,24,27H,8,13-18,20H2,1H3/b23-19+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Diego
Curated by ChEMBL
| Assay Description
Inhibition of mPGES-1 (unknown origin) assessed as reduction in conversion of PGH2 to PGE2 by EIA method |
J Med Chem 59: 4202-9 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01011
BindingDB Entry DOI: 10.7270/Q2BK1F9C |
More data for this
Ligand-Target Pair | |
Polyunsaturated fatty acid lipoxygenase ALOX15
(Homo sapiens (Human)) | BDBM50180652
(CHEMBL3819527)Show SMILES CN1CCN(CC(=O)N2N=C3C(CCC\C3=C/c3ccccc3)C2c2ccccc2)CC1 |c:9| Show InChI InChI=1S/C27H32N4O/c1-29-15-17-30(18-16-29)20-25(32)31-27(22-11-6-3-7-12-22)24-14-8-13-23(26(24)28-31)19-21-9-4-2-5-10-21/h2-7,9-12,19,24,27H,8,13-18,20H2,1H3/b23-19+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a |
University of California San Diego
Curated by ChEMBL
| Assay Description
Binding affinity to wild-type His6-tagged human 15-LOX expressed in Escherichia coli Rosetta DE3 by SPR assay |
J Med Chem 59: 4202-9 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01011
BindingDB Entry DOI: 10.7270/Q2BK1F9C |
More data for this
Ligand-Target Pair | |