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PubMed code 8230117

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50231562
PNG
(CHEMBL109965)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CN(Cc2ccc(Br)cc2)C(=O)C1
Show InChI InChI=1S/C23H26BrNO3/c1-27-21-11-8-17(12-22(21)28-20-4-2-3-5-20)18-13-23(26)25(15-18)14-16-6-9-19(24)10-7-16/h6-12,18,20H,2-5,13-15H2,1H3/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 170n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of partially-purified PDE 4 from human monocytes


J Med Chem 36: 3274-7 (1993)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50231563
PNG
(CHEMBL326068)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(Cc2ccc(Br)cc2)C(=O)C1
Show InChI InChI=1S/C23H26BrNO3/c1-27-21-11-8-17(12-22(21)28-20-4-2-3-5-20)18-13-23(26)25(15-18)14-16-6-9-19(24)10-7-16/h6-12,18,20H,2-5,13-15H2,1H3/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 740n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of partially-purified PDE 4 from human monocytes


J Med Chem 36: 3274-7 (1993)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50042058
PNG
((-)-rolipram | (4R)-4-[3-(cyclopentyloxy)-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
UniChem

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PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of partially-purified PDE 4 from human monocytes


J Med Chem 36: 3274-7 (1993)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50042056
PNG
((R)-4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrrolid...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of partially-purified PDE 4 from human monocytes


J Med Chem 36: 3274-7 (1993)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%