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BDBM50223187 CHEMBL30966

SMILES: C(Nc1nc(CC2CCCC2)nc2ccsc12)c1ccccc1

InChI Key: InChIKey=YCEREBUFXGBUFZ-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 = 50223187   
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))
BDBM50223187
PNG
(CHEMBL30966)
Show SMILES C(Nc1nc(CC2CCCC2)nc2ccsc12)c1ccccc1
Show InChI InChI=1S/C19H21N3S/c1-2-8-15(9-3-1)13-20-19-18-16(10-11-23-18)21-17(22-19)12-14-6-4-5-7-14/h1-3,8-11,14H,4-7,12-13H2,(H,20,21,22)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/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)


Article DOI: 10.1016/s0960-894x(03)00172-0
BindingDB Entry DOI: 10.7270/Q29025ZS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50223187
PNG
(CHEMBL30966)
Show SMILES C(Nc1nc(CC2CCCC2)nc2ccsc12)c1ccccc1
Show InChI InChI=1S/C19H21N3S/c1-2-8-15(9-3-1)13-20-19-18-16(10-11-23-18)21-17(22-19)12-14-6-4-5-7-14/h1-3,8-11,14H,4-7,12-13H2,(H,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.80E+3n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223187
PNG
(CHEMBL30966)
Show SMILES C(Nc1nc(CC2CCCC2)nc2ccsc12)c1ccccc1
Show InChI InChI=1S/C19H21N3S/c1-2-8-15(9-3-1)13-20-19-18-16(10-11-23-18)21-17(22-19)12-14-6-4-5-7-14/h1-3,8-11,14H,4-7,12-13H2,(H,20,21,22)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.10E+3n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50223187
PNG
(CHEMBL30966)
Show SMILES C(Nc1nc(CC2CCCC2)nc2ccsc12)c1ccccc1
Show InChI InChI=1S/C19H21N3S/c1-2-8-15(9-3-1)13-20-19-18-16(10-11-23-18)21-17(22-19)12-14-6-4-5-7-14/h1-3,8-11,14H,4-7,12-13H2,(H,20,21,22)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 3.40E+3n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50223187
PNG
(CHEMBL30966)
Show SMILES C(Nc1nc(CC2CCCC2)nc2ccsc12)c1ccccc1
Show InChI InChI=1S/C19H21N3S/c1-2-8-15(9-3-1)13-20-19-18-16(10-11-23-18)21-17(22-19)12-14-6-4-5-7-14/h1-3,8-11,14H,4-7,12-13H2,(H,20,21,22)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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)

More data for this
Ligand-Target Pair