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SMILES: COc1ccc(cc1OC)C(CC(N)=O)N1C(=O)c2ccccc2C1=O

InChI Key: InChIKey=GKPXSGPDRIUIAD-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50052599   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50052599
PNG
(3-(3,4-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-...)
Show SMILES COc1ccc(cc1OC)C(CC(N)=O)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H18N2O5/c1-25-15-8-7-11(9-16(15)26-2)14(10-17(20)22)21-18(23)12-5-3-4-6-13(12)19(21)24/h3-9,14H,10H2,1-2H3,(H2,20,22)
PDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 9.40E+3n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of PDE4 enzyme from U937 cells


Bioorg Med Chem Lett 8: 2669-74 (1998)


BindingDB Entry DOI: 10.7270/Q2BK1FJH
More data for this
Ligand-Target Pair
Tumor necrosis factor


(Homo sapiens (Human))
BDBM50052599
PNG
(3-(3,4-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-...)
Show SMILES COc1ccc(cc1OC)C(CC(N)=O)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H18N2O5/c1-25-15-8-7-11(9-16(15)26-2)14(10-17(20)22)21-18(23)12-5-3-4-6-13(12)19(21)24/h3-9,14H,10H2,1-2H3,(H2,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Celgene Corporation

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha production in LPS stimulated human PBMCs


J Med Chem 39: 3238-40 (1996)


Article DOI: 10.1021/jm9603328
BindingDB Entry DOI: 10.7270/Q2V40T9Q
More data for this
Ligand-Target Pair