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BDBM50223052 CHEMBL30733

SMILES: CCCCc1nc(Nc2ccccc2)c2sccc2n1

InChI Key: InChIKey=UQWQNHQJMREMFN-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50223052   
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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223052
PNG
(CHEMBL30733)
Show SMILES CCCCc1nc(Nc2ccccc2)c2sccc2n1
Show InChI InChI=1S/C16H17N3S/c1-2-3-9-14-18-13-10-11-20-15(13)16(19-14)17-12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,17,18,19)
PDB

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UniProtKB/TrEMBL

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PC cid
PC sid
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PubMed
n/an/a 600n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibitory activity against (PDE IV) phosphodiesterase IV in guinea pig articular tissue


Bioorg Med Chem Lett 13: 1403-8 (2003)


BindingDB Entry DOI: 10.7270/Q29025ZS
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223052
PNG
(CHEMBL30733)
Show SMILES CCCCc1nc(Nc2ccccc2)c2sccc2n1
Show InChI InChI=1S/C16H17N3S/c1-2-3-9-14-18-13-10-11-20-15(13)16(19-14)17-12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,17,18,19)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC sid
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Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 4 isolated from guinea pig ventricular tissue


J Med Chem 41: 4021-35 (1998)


Article DOI: 10.1021/jm981012m
BindingDB Entry DOI: 10.7270/Q2TM7DV3
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50223052
PNG
(CHEMBL30733)
Show SMILES CCCCc1nc(Nc2ccccc2)c2sccc2n1
Show InChI InChI=1S/C16H17N3S/c1-2-3-9-14-18-13-10-11-20-15(13)16(19-14)17-12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,17,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory activity against cGMP inhibited Phosphodiesterase 3, isolated from guinea pig ventricular tissue


J Med Chem 41: 4021-35 (1998)


Article DOI: 10.1021/jm981012m
BindingDB Entry DOI: 10.7270/Q2TM7DV3
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223052
PNG
(CHEMBL30733)
Show SMILES CCCCc1nc(Nc2ccccc2)c2sccc2n1
Show InChI InChI=1S/C16H17N3S/c1-2-3-9-14-18-13-10-11-20-15(13)16(19-14)17-12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,17,18,19)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 700n/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Increased cAMP accumulation in isoprenaline-induced guinea pig eosinophils


J Med Chem 41: 4021-35 (1998)


Article DOI: 10.1021/jm981012m
BindingDB Entry DOI: 10.7270/Q2TM7DV3
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50223052
PNG
(CHEMBL30733)
Show SMILES CCCCc1nc(Nc2ccccc2)c2sccc2n1
Show InChI InChI=1S/C16H17N3S/c1-2-3-9-14-18-13-10-11-20-15(13)16(19-14)17-12-7-5-4-6-8-12/h4-8,10-11H,2-3,9H2,1H3,(H,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Affinity for the high affinity rolipram binding site of phosphodiesterase (PDE IV) by [3H]rolipram displacement.


J Med Chem 41: 4021-35 (1998)


Article DOI: 10.1021/jm981012m
BindingDB Entry DOI: 10.7270/Q2TM7DV3
More data for this
Ligand-Target Pair