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SMILES: Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCCNCC1

InChI Key: InChIKey=KWWIPKBVKLHGCM-WGSAOQKQSA-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 = 140090   
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))
BDBM140090
PNG
(US8901315, 170)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCCNCC1 |r,wU:18.20,wD:21.27,(-7.47,3.9,;-6.7,2.57,;-7.6,1.32,;-6.7,.08,;-7.1,-1.41,;-8.58,-1.81,;-8.98,-3.3,;-7.89,-4.39,;-6.4,-3.99,;-6.01,-2.5,;-5.23,.55,;-3.77,.08,;-2.86,1.32,;-3.77,2.57,;-5.23,2.09,;-1.32,1.32,;-.55,-.01,;-.55,2.66,;.99,2.66,;1.76,3.99,;3.3,3.99,;4.07,2.66,;3.3,1.32,;1.76,1.32,;5.61,2.66,;6.28,4.04,;7.78,4.39,;8.98,3.43,;8.98,1.89,;7.78,.93,;6.28,1.27,)|
Show InChI InChI=1S/C24H37N5OS/c1-17-21-16-22(31-24(21)29(27-17)20-6-3-2-4-7-20)23(30)26-18-8-10-19(11-9-18)28-14-5-12-25-13-15-28/h16,18-20,25H,2-15H2,1H3,(H,26,30)/t18-,19-
PDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM140090
PNG
(US8901315, 170)
Show SMILES Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)N[C@H]1CC[C@@H](CC1)N1CCCNCC1 |r,wU:18.20,wD:21.27,(-7.47,3.9,;-6.7,2.57,;-7.6,1.32,;-6.7,.08,;-7.1,-1.41,;-8.58,-1.81,;-8.98,-3.3,;-7.89,-4.39,;-6.4,-3.99,;-6.01,-2.5,;-5.23,.55,;-3.77,.08,;-2.86,1.32,;-3.77,2.57,;-5.23,2.09,;-1.32,1.32,;-.55,-.01,;-.55,2.66,;.99,2.66,;1.76,3.99,;3.3,3.99,;4.07,2.66,;3.3,1.32,;1.76,1.32,;5.61,2.66,;6.28,4.04,;7.78,4.39,;8.98,3.43,;8.98,1.89,;7.78,.93,;6.28,1.27,)|
Show InChI InChI=1S/C24H37N5OS/c1-17-21-16-22(31-24(21)29(27-17)20-6-3-2-4-7-20)23(30)26-18-8-10-19(11-9-18)28-14-5-12-25-13-15-28/h16,18-20,25H,2-15H2,1H3,(H,26,30)/t18-,19-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 22n/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