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SMILES: CC(=O)N1CCCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1

InChI Key: InChIKey=NIFVHHHZBHSBQS-MEMLXQNLSA-N

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 = 140091   
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


(Mus musculus (Mouse))
BDBM140091
PNG
(US8901315, 171)
Show SMILES CC(=O)N1CCCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 |r,wU:13.17,wD:10.10,(10.32,1.89,;8.98,1.12,;8.98,-.42,;7.65,1.89,;7.65,3.43,;6.44,4.39,;4.94,4.04,;4.27,2.66,;4.94,1.27,;6.44,.93,;2.73,2.66,;1.96,3.99,;.42,3.99,;-.35,2.66,;.42,1.32,;1.96,1.32,;-1.89,2.66,;-2.66,1.32,;-1.89,-.01,;-4.2,1.32,;-5.1,2.57,;-6.57,2.09,;-8.03,2.57,;-8.8,3.9,;-8.94,1.32,;-8.03,.08,;-8.43,-1.41,;-9.92,-1.81,;-10.32,-3.3,;-9.23,-4.39,;-7.74,-3.99,;-7.34,-2.5,;-6.57,.55,;-5.1,.08,)|
Show InChI InChI=1S/C26H39N5O2S/c1-18-23-17-24(34-26(23)31(28-18)22-7-4-3-5-8-22)25(33)27-20-9-11-21(12-10-20)30-14-6-13-29(15-16-30)19(2)32/h17,20-22H,3-16H2,1-2H3,(H,27,33)/t20-,21-
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.70E+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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM140091
PNG
(US8901315, 171)
Show SMILES CC(=O)N1CCCN(CC1)[C@H]1CC[C@@H](CC1)NC(=O)c1cc2c(C)nn(C3CCCCC3)c2s1 |r,wU:13.17,wD:10.10,(10.32,1.89,;8.98,1.12,;8.98,-.42,;7.65,1.89,;7.65,3.43,;6.44,4.39,;4.94,4.04,;4.27,2.66,;4.94,1.27,;6.44,.93,;2.73,2.66,;1.96,3.99,;.42,3.99,;-.35,2.66,;.42,1.32,;1.96,1.32,;-1.89,2.66,;-2.66,1.32,;-1.89,-.01,;-4.2,1.32,;-5.1,2.57,;-6.57,2.09,;-8.03,2.57,;-8.8,3.9,;-8.94,1.32,;-8.03,.08,;-8.43,-1.41,;-9.92,-1.81,;-10.32,-3.3,;-9.23,-4.39,;-7.74,-3.99,;-7.34,-2.5,;-6.57,.55,;-5.1,.08,)|
Show InChI InChI=1S/C26H39N5O2S/c1-18-23-17-24(34-26(23)31(28-18)22-7-4-3-5-8-22)25(33)27-20-9-11-21(12-10-20)30-14-6-13-29(15-16-30)19(2)32/h17,20-22H,3-16H2,1-2H3,(H,27,33)/t20-,21-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 37n/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