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SMILES: C(Nc1nc(nc2ccsc12)N1CCCCC1)c1ccccc1

InChI Key: InChIKey=WTRJSVKSGFVZPG-UHFFFAOYSA-N

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 3 hits for monomerid = 50471846   
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))
BDBM50471846
PNG
(CHEMBL434822)
Show SMILES C(Nc1nc(nc2ccsc12)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H20N4S/c1-3-7-14(8-4-1)13-19-17-16-15(9-12-23-16)20-18(21-17)22-10-5-2-6-11-22/h1,3-4,7-9,12H,2,5-6,10-11,13H2,(H,19,20,21)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.10E+4n/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
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50471846
PNG
(CHEMBL434822)
Show SMILES C(Nc1nc(nc2ccsc12)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H20N4S/c1-3-7-14(8-4-1)13-19-17-16-15(9-12-23-16)20-18(21-17)22-10-5-2-6-11-22/h1,3-4,7-9,12H,2,5-6,10-11,13H2,(H,19,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50471846
PNG
(CHEMBL434822)
Show SMILES C(Nc1nc(nc2ccsc12)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H20N4S/c1-3-7-14(8-4-1)13-19-17-16-15(9-12-23-16)20-18(21-17)22-10-5-2-6-11-22/h1,3-4,7-9,12H,2,5-6,10-11,13H2,(H,19,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.50E+4n/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