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Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'malde' and Initial = 'a'   
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))
BDBM50219407
PNG
(CHEMBL84350)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)S(C)(=O)=O |c:16|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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PubMed
n/an/a 2n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219407
PNG
(CHEMBL84350)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)S(C)(=O)=O |c:16|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218578
PNG
(CHEMBL79902)
Show SMILES COc1ccc2c(Cc3c(Cl)c[n+]([O-])cc3Cl)nnc(-c3nccs3)c2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218578
PNG
(CHEMBL79902)
Show SMILES COc1ccc2c(Cc3c(Cl)c[n+]([O-])cc3Cl)nnc(-c3nccs3)c2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218267
PNG
(CHEMBL74404)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1C#CCCCc1ccccc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 10n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218267
PNG
(CHEMBL74404)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1C#CCCCc1ccccc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
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UniChem
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n/an/a 10n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219418
PNG
(CHEMBL450274)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)Cc1ccccc1 |c:16|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
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n/an/a 12n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219418
PNG
(CHEMBL450274)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)Cc1ccccc1 |c:16|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 12n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218586
PNG
(CHEMBL79471)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-c3nccs3)c2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 14n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218586
PNG
(CHEMBL79471)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-c3nccs3)c2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 14n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218268
PNG
(CHEMBL309341)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1\C=C\CCCc1ccccc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 19n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218268
PNG
(CHEMBL309341)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1\C=C\CCCc1ccccc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 19n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219414
PNG
(CHEMBL79661)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)S(C)(=O)=O |c:16|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 21n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219414
PNG
(CHEMBL79661)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)S(C)(=O)=O |c:16|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 21n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219412
PNG
(CHEMBL82882)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)C(C)C |c:16|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 25n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219412
PNG
(CHEMBL82882)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)C(C)C |c:16|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 25n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219410
PNG
(CHEMBL311025)
Show SMILES CCC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 28n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219410
PNG
(CHEMBL311025)
Show SMILES CCC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 28n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218265
PNG
(CHEMBL308407)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1Cc2ccccc2C1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 30n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218265
PNG
(CHEMBL308407)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1Cc2ccccc2C1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 30n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219415
PNG
(CHEMBL83872)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)c1ccccc1 |c:16|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 30n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219417
PNG
(CHEMBL421343)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)C(C)=O |c:16|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 30n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218263
PNG
(CHEMBL419814)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1CCCCCc1ccccc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 30n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218263
PNG
(CHEMBL419814)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1CCCCCc1ccccc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 30n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219417
PNG
(CHEMBL421343)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)C(C)=O |c:16|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 30n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219415
PNG
(CHEMBL83872)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)c1ccccc1 |c:16|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 30n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50133024
PNG
(3-Fluoro-4-[5-(4-methylsulfanyl-phenyl)-3-trifluor...)
Show SMILES CSc1ccc(cc1)-c1cc(nn1-c1ccc(cc1F)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H13F4N3O2S2/c1-27-11-4-2-10(3-5-11)15-9-16(17(19,20)21)23-24(15)14-7-6-12(8-13(14)18)28(22,25)26/h2-9H,1H3,(H2,22,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
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UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Dr Reddy's Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human Prostaglandin G/H synthase 2


J Med Chem 46: 3975-84 (2003)


Article DOI: 10.1021/jm020563g
BindingDB Entry DOI: 10.7270/Q2HD7V29
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219411
PNG
(CHEMBL82934)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(N)=O |c:16|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 36n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219411
PNG
(CHEMBL82934)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(N)=O |c:16|
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PubMed
n/an/a 36n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218580
PNG
(CHEMBL310387)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-c3ccccc3)c2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 37n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218580
PNG
(CHEMBL310387)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-c3ccccc3)c2c1
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n/an/a 37n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218589
PNG
(CHEMBL79535)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(N3CCCC3)c2c1
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n/an/a 38n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218589
PNG
(CHEMBL79535)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(N3CCCC3)c2c1
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n/an/a 38n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218262
PNG
(CHEMBL308158)
Show SMILES FC(F)Oc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
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n/an/a 39n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218262
PNG
(CHEMBL308158)
Show SMILES FC(F)Oc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
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n/an/a 39n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218264
PNG
(CHEMBL72362)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)n[n+]([O-])cc2c1OC1CCCC1
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n/an/a 42n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218264
PNG
(CHEMBL72362)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)n[n+]([O-])cc2c1OC1CCCC1
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n/an/a 42n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218577
PNG
(CHEMBL80107)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(C#Cc3ccccc3)c2c1
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n/an/a 48n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218577
PNG
(CHEMBL80107)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(C#Cc3ccccc3)c2c1
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n/an/a 48n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219408
PNG
(CHEMBL84115)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(C)=O |c:16|
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n/an/a 51n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219408
PNG
(CHEMBL84115)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(C)=O |c:16|
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n/an/a 51n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218260
PNG
(CHEMBL70391)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
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n/an/a 52n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218260
PNG
(CHEMBL70391)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
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n/an/a 53n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218261
PNG
(CHEMBL74631)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OCCCCCc1ccccc1
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n/an/a 56n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50218261
PNG
(CHEMBL74631)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OCCCCCc1ccccc1
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n/an/a 57n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50092350
PNG
((5-Cyclopentyloxy-6-methoxy-phthalazin-1-yl)-(3,5-...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-16-7-6-12-13(18(16)27-11-4-2-3-5-11)8-23-25-19(12)24-17-14(20)9-22-10-15(17)21/h6-11H,2-5H2,1H3,(H,22,24,25)
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n/an/a 59n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50092350
PNG
((5-Cyclopentyloxy-6-methoxy-phthalazin-1-yl)-(3,5-...)
Show SMILES COc1ccc2c(Nc3c(Cl)cncc3Cl)nncc2c1OC1CCCC1
Show InChI InChI=1S/C19H18Cl2N4O2/c1-26-16-7-6-12-13(18(16)27-11-4-2-3-5-11)8-23-25-19(12)24-17-14(20)9-22-10-15(17)21/h6-11H,2-5H2,1H3,(H,22,24,25)
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n/an/a 59n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 67n/an/an/an/an/an/a



Dr Reddy's Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against Prostaglandin G/H synthase 1 from ram seminal vesicles


J Med Chem 46: 3975-84 (2003)


Article DOI: 10.1021/jm020563g
BindingDB Entry DOI: 10.7270/Q2HD7V29
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 70n/an/an/an/an/an/a



Dr Reddy's Laboratories Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of the compound against human Prostaglandin G/H synthase 2


J Med Chem 46: 3975-84 (2003)


Article DOI: 10.1021/jm020563g
BindingDB Entry DOI: 10.7270/Q2HD7V29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50219404
PNG
(CHEMBL79739)
Show SMILES COC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25|
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n/an/a 72n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2473-9 (2003)


BindingDB Entry DOI: 10.7270/Q24F1SXB
More data for this
Ligand-Target Pair
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