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BDBM140126 US8901315, 247

SMILES: Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)NC1CC[C@H](CN2C(=O)CNC2=O)CC1

InChI Key: InChIKey=WSWDXQUYBDTYGO-JGIIQEAISA-N

Data: 2 IC50

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 2 hits for monomerid = 140126   
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))
BDBM140126
PNG
(US8901315, 247)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)NC1CC[C@H](CN2C(=O)CNC2=O)CC1 |r,wD:21.24,(-7.32,4.1,;-6.55,2.77,;-7.46,1.52,;-6.55,.27,;-6.95,-1.21,;-8.44,-1.61,;-8.83,-3.1,;-7.75,-4.19,;-6.26,-3.79,;-5.86,-2.3,;-5.09,.75,;-3.62,.27,;-2.72,1.52,;-3.62,2.77,;-5.09,2.29,;-1.18,1.52,;-.41,.19,;-.41,2.85,;1.13,2.85,;1.9,4.19,;3.44,4.19,;4.21,2.85,;5.75,2.85,;6.52,1.52,;6.05,.06,;4.72,-.71,;7.29,-.85,;8.54,.06,;8.06,1.52,;8.83,2.85,;3.44,1.52,;1.9,1.52,)|
Show InChI InChI=1S/C23H31N5O3S/c1-14-18-11-19(32-22(18)28(26-14)17-5-3-2-4-6-17)21(30)25-16-9-7-15(8-10-16)13-27-20(29)12-24-23(27)31/h11,15-17H,2-10,12-13H2,1H3,(H,24,31)(H,25,30)/t15-,16?
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.40E+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))
BDBM140126
PNG
(US8901315, 247)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)NC1CC[C@H](CN2C(=O)CNC2=O)CC1 |r,wD:21.24,(-7.32,4.1,;-6.55,2.77,;-7.46,1.52,;-6.55,.27,;-6.95,-1.21,;-8.44,-1.61,;-8.83,-3.1,;-7.75,-4.19,;-6.26,-3.79,;-5.86,-2.3,;-5.09,.75,;-3.62,.27,;-2.72,1.52,;-3.62,2.77,;-5.09,2.29,;-1.18,1.52,;-.41,.19,;-.41,2.85,;1.13,2.85,;1.9,4.19,;3.44,4.19,;4.21,2.85,;5.75,2.85,;6.52,1.52,;6.05,.06,;4.72,-.71,;7.29,-.85,;8.54,.06,;8.06,1.52,;8.83,2.85,;3.44,1.52,;1.9,1.52,)|
Show InChI InChI=1S/C23H31N5O3S/c1-14-18-11-19(32-22(18)28(26-14)17-5-3-2-4-6-17)21(30)25-16-9-7-15(8-10-16)13-27-20(29)12-24-23(27)31/h11,15-17H,2-10,12-13H2,1H3,(H,24,31)(H,25,30)/t15-,16?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 6.5n/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