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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 140099   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM140099
PNG
(US8901315, 188)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCNCC1 |r,wU:18.20,wD:21.27,(-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,;3.44,1.52,;1.9,1.52,;5.75,2.85,;6.52,1.52,;8.06,1.52,;8.83,2.85,;8.06,4.19,;6.52,4.19,)|
Show InChI InChI=1S/C23H35N5OS/c1-16-20-15-21(30-23(20)28(26-16)19-5-3-2-4-6-19)22(29)25-17-7-9-18(10-8-17)27-13-11-24-12-14-27/h15,17-19,24H,2-14H2,1H3,(H,25,29)/t17-,18-
PDB
MMDB

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PC cid
PC sid
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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
Phosphodiesterase


(Mus musculus (Mouse))
BDBM140099
PNG
(US8901315, 188)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCNCC1 |r,wU:18.20,wD:21.27,(-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,;3.44,1.52,;1.9,1.52,;5.75,2.85,;6.52,1.52,;8.06,1.52,;8.83,2.85,;8.06,4.19,;6.52,4.19,)|
Show InChI InChI=1S/C23H35N5OS/c1-16-20-15-21(30-23(20)28(26-16)19-5-3-2-4-6-19)22(29)25-17-7-9-18(10-8-17)27-13-11-24-12-14-27/h15,17-19,24H,2-14H2,1H3,(H,25,29)/t17-,18-
PDB

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GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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US Patent
n/an/a 700n/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