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BDBM140184 US8901315, 416

SMILES: CN1CCN([C@H]2CC[C@@H](CC2)NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)C(=O)C1

InChI Key: InChIKey=PKDPDIGYQHRQKY-IYARVYRRSA-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 = 140184   
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))
BDBM140184
PNG
(US8901315, 416)
Show SMILES CN1CCN([C@H]2CC[C@@H](CC2)NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)C(=O)C1 |r,wU:8.11,wD:5.4,(9.6,2.19,;8.06,2.19,;7.29,.85,;5.75,.85,;4.98,2.19,;3.44,2.19,;2.67,3.52,;1.13,3.52,;.36,2.19,;1.13,.85,;2.67,.85,;-1.18,2.19,;-1.95,.85,;-1.18,-.48,;-3.49,.85,;-4.39,2.1,;-5.86,1.62,;-7.32,2.1,;-8.09,3.43,;-8.23,.85,;-7.32,-.39,;-7.72,-1.88,;-9.21,-2.28,;-9.6,-3.77,;-8.52,-4.85,;-7.03,-4.46,;-6.63,-2.97,;-5.86,.08,;-4.39,-.39,;5.75,3.52,;4.98,4.85,;7.29,3.52,)|
Show InChI InChI=1S/C24H35N5O2S/c1-16-20-14-21(32-24(20)29(26-16)19-6-4-3-5-7-19)23(31)25-17-8-10-18(11-9-17)28-13-12-27(2)15-22(28)30/h14,17-19H,3-13,15H2,1-2H3,(H,25,31)/t17-,18-
PDB

KEGG

UniProtKB/TrEMBL

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.30E+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))
BDBM140184
PNG
(US8901315, 416)
Show SMILES CN1CCN([C@H]2CC[C@@H](CC2)NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)C(=O)C1 |r,wU:8.11,wD:5.4,(9.6,2.19,;8.06,2.19,;7.29,.85,;5.75,.85,;4.98,2.19,;3.44,2.19,;2.67,3.52,;1.13,3.52,;.36,2.19,;1.13,.85,;2.67,.85,;-1.18,2.19,;-1.95,.85,;-1.18,-.48,;-3.49,.85,;-4.39,2.1,;-5.86,1.62,;-7.32,2.1,;-8.09,3.43,;-8.23,.85,;-7.32,-.39,;-7.72,-1.88,;-9.21,-2.28,;-9.6,-3.77,;-8.52,-4.85,;-7.03,-4.46,;-6.63,-2.97,;-5.86,.08,;-4.39,-.39,;5.75,3.52,;4.98,4.85,;7.29,3.52,)|
Show InChI InChI=1S/C24H35N5O2S/c1-16-20-14-21(32-24(20)29(26-16)19-6-4-3-5-7-19)23(31)25-17-8-10-18(11-9-17)28-13-12-27(2)15-22(28)30/h14,17-19H,3-13,15H2,1-2H3,(H,25,31)/t17-,18-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 17n/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