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Compile Data Set for Download or QSAR

Found 2 hits with Last Name = 'shepherd' and Initial = 'rg'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50034545
PNG
((3-Methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrid...)
Show SMILES Cc1ccc(cc1)C(O)c1nc2CCCCCc2cc1C
Show InChI InChI=1S/C19H23NO/c1-13-8-10-15(11-9-13)19(21)18-14(2)12-16-6-4-3-5-7-17(16)20-18/h8-12,19,21H,3-7H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Wyeth Research (U.K.) Ltd.

Curated by ChEMBL


Assay Description
5-lipoxygenase inhibitory activity against rat polymorphonuclear leucocytes from female wistar rat, by using LTB4 .


J Med Chem 38: 1473-81 (1995)


BindingDB Entry DOI: 10.7270/Q2VH5MV3
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Rattus norvegicus)
BDBM50034545
PNG
((3-Methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrid...)
Show SMILES Cc1ccc(cc1)C(O)c1nc2CCCCCc2cc1C
Show InChI InChI=1S/C19H23NO/c1-13-8-10-15(11-9-13)19(21)18-14(2)12-16-6-4-3-5-7-17(16)20-18/h8-12,19,21H,3-7H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



Wyeth Research (U.K.) Ltd.

Curated by ChEMBL


Assay Description
5-lipoxygenase inhibitory activity against rat polymorphonuclear leucocytes from female wistar rat, by using 5-HETE.


J Med Chem 38: 1473-81 (1995)


BindingDB Entry DOI: 10.7270/Q2VH5MV3
More data for this
Ligand-Target Pair