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BDBM140171 US8901315, 379

SMILES: Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(nc1)C(=O)NCCO

InChI Key: InChIKey=GCQTYWYVDYTQCZ-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 = 140171   
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))
BDBM140171
PNG
(US8901315, 379)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(nc1)C(=O)NCCO
Show InChI InChI=1S/C21H25N5O3S/c1-13-16-11-18(30-21(16)26(25-13)15-5-3-2-4-6-15)20(29)24-14-7-8-17(23-12-14)19(28)22-9-10-27/h7-8,11-12,15,27H,2-6,9-10H2,1H3,(H,22,28)(H,24,29)
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20E+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))
BDBM140171
PNG
(US8901315, 379)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc(nc1)C(=O)NCCO
Show InChI InChI=1S/C21H25N5O3S/c1-13-16-11-18(30-21(16)26(25-13)15-5-3-2-4-6-15)20(29)24-14-7-8-17(23-12-14)19(28)22-9-10-27/h7-8,11-12,15,27H,2-6,9-10H2,1H3,(H,22,28)(H,24,29)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13n/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