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BDBM140140 US8901315, 273

SMILES: Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1C(=O)CCC1=O

InChI Key: InChIKey=CKUHDWKGBHLZTA-WKILWMFISA-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 = 140140   
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))
BDBM140140
PNG
(US8901315, 273)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1C(=O)CCC1=O |r,wU:18.20,wD:21.27,(-6.96,3.48,;-6.19,2.14,;-7.1,.9,;-6.19,-.35,;-6.59,-1.84,;-8.08,-2.23,;-8.48,-3.72,;-7.39,-4.81,;-5.9,-4.41,;-5.5,-2.92,;-4.73,.13,;-3.27,-.35,;-2.36,.9,;-3.27,2.14,;-4.73,1.67,;-.82,.9,;-.05,-.44,;-.05,2.23,;1.49,2.23,;2.26,3.56,;3.8,3.56,;4.57,2.23,;3.8,.9,;2.26,.9,;6.11,2.23,;7.01,.99,;6.24,-.35,;8.48,1.46,;8.48,3,;7.01,3.48,;6.24,4.81,)|
Show InChI InChI=1S/C23H30N4O3S/c1-14-18-13-19(31-23(18)27(25-14)17-5-3-2-4-6-17)22(30)24-15-7-9-16(10-8-15)26-20(28)11-12-21(26)29/h13,15-17H,2-12H2,1H3,(H,24,30)/t15-,16-
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60E+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))
BDBM140140
PNG
(US8901315, 273)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1C(=O)CCC1=O |r,wU:18.20,wD:21.27,(-6.96,3.48,;-6.19,2.14,;-7.1,.9,;-6.19,-.35,;-6.59,-1.84,;-8.08,-2.23,;-8.48,-3.72,;-7.39,-4.81,;-5.9,-4.41,;-5.5,-2.92,;-4.73,.13,;-3.27,-.35,;-2.36,.9,;-3.27,2.14,;-4.73,1.67,;-.82,.9,;-.05,-.44,;-.05,2.23,;1.49,2.23,;2.26,3.56,;3.8,3.56,;4.57,2.23,;3.8,.9,;2.26,.9,;6.11,2.23,;7.01,.99,;6.24,-.35,;8.48,1.46,;8.48,3,;7.01,3.48,;6.24,4.81,)|
Show InChI InChI=1S/C23H30N4O3S/c1-14-18-13-19(31-23(18)27(25-14)17-5-3-2-4-6-17)22(30)24-15-7-9-16(10-8-15)26-20(28)11-12-21(26)29/h13,15-17H,2-12H2,1H3,(H,24,30)/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 14n/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