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BDBM140116 US8901315, 228

SMILES: CN1CCN(CCNC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)C(=O)C1=O

InChI Key: InChIKey=XIGCQRXKJLXWQF-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 140116   
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 (PDE4)


(Mus musculus (Mouse))
BDBM140116
PNG
(US8901315, 228)
Show SMILES CN1CCN(CCNC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)C(=O)C1=O
Show InChI InChI=1S/C20H27N5O3S/c1-13-15-12-16(29-20(15)25(22-13)14-6-4-3-5-7-14)17(26)21-8-9-24-11-10-23(2)18(27)19(24)28/h12,14H,3-11H2,1-2H3,(H,21,26)
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.80E+3n/an/an/an/a6.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 4 (phosphodiesterase IV) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifie...


US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM140116
PNG
(US8901315, 228)
Show SMILES CN1CCN(CCNC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)C(=O)C1=O
Show InChI InChI=1S/C20H27N5O3S/c1-13-15-12-16(29-20(15)25(22-13)14-6-4-3-5-7-14)17(26)21-8-9-24-11-10-23(2)18(27)19(24)28/h12,14H,3-11H2,1-2H3,(H,21,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 51n/an/an/an/a7.54



Daiichi Sankyo Company, Limited

US Patent


Assay Description
The PDE 7 (phosphodiesterase VII) inhibiting effect of the compounds of the present invention was performed by the following method, which was modifi...


US Patent US8901315 (2014)


BindingDB Entry DOI: 10.7270/Q2GM860P
More data for this
Ligand-Target Pair