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BDBM50215887 CHEMBL130841

SMILES: CCOC(=O)N1CCC(Cc2ccncc2)(C1=O)c1ccc(OC)c(OC2CCCC2)c1

InChI Key: InChIKey=SMJWZBPNUICRQK-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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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 = 50215887   
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))
BDBM50215887
PNG
(CHEMBL130841)
Show SMILES CCOC(=O)N1CCC(Cc2ccncc2)(C1=O)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C25H30N2O5/c1-3-31-24(29)27-15-12-25(23(27)28,17-18-10-13-26-14-11-18)19-8-9-21(30-2)22(16-19)32-20-6-4-5-7-20/h8-11,13-14,16,20H,3-7,12,15,17H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
139n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
Affinity for phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]rolipram displacement.


Bioorg Med Chem Lett 8: 399-404 (1998)


BindingDB Entry DOI: 10.7270/Q2222WZ0
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50215887
PNG
(CHEMBL130841)
Show SMILES CCOC(=O)N1CCC(Cc2ccncc2)(C1=O)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C25H30N2O5/c1-3-31-24(29)27-15-12-25(23(27)28,17-18-10-13-26-14-11-18)19-8-9-21(30-2)22(16-19)32-20-6-4-5-7-20/h8-11,13-14,16,20H,3-7,12,15,17H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 137n/an/an/an/an/an/a



Rh£ne-Poulenc Rorer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of phosphodiesterase (PDE IV) from guinea pig macrophages.


Bioorg Med Chem Lett 8: 399-404 (1998)


BindingDB Entry DOI: 10.7270/Q2222WZ0
More data for this
Ligand-Target Pair