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BDBM50151526 CHEMBL363097::N-(4-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1,3,4]thiadiazol-2-yl}-phenyl)-acetamide::US8637528, OM956

SMILES: CC(=O)Nc1ccc(cc1)-c1nn(C)\c(=N\C2CCCCC2)s1

InChI Key: InChIKey=HMLIQWYFUWNFED-ZPHPHTNESA-N

Data: 4 IC50

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 4 hits for monomerid = 50151526   
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 7


(Homo sapiens (Human))
BDBM50151526
PNG
(CHEMBL363097 | N-(4-{5-[(Z)-Cyclohexylimino]-4-met...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nn(C)\c(=N\C2CCCCC2)s1
Show InChI InChI=1S/C17H22N4OS/c1-12(22)18-15-10-8-13(9-11-15)16-20-21(2)17(23-16)19-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,18,22)/b19-17-
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 140n/an/an/an/a8.0n/a



Omeros Corporation

US Patent


Assay Description
The assay method used was a scintillation proximity assay (SPA) (obtained from GE Healthcare, Product Code TRKQ7100), with [3H]-cGMP as the substrate...


US Patent US8637528 (2014)


BindingDB Entry DOI: 10.7270/Q29022FT
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50151526
PNG
(CHEMBL363097 | N-(4-{5-[(Z)-Cyclohexylimino]-4-met...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nn(C)\c(=N\C2CCCCC2)s1
Show InChI InChI=1S/C17H22N4OS/c1-12(22)18-15-10-8-13(9-11-15)16-20-21(2)17(23-16)19-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,18,22)/b19-17-
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PC sid
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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4607-13 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.008
BindingDB Entry DOI: 10.7270/Q2377855
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50151526
PNG
(CHEMBL363097 | N-(4-{5-[(Z)-Cyclohexylimino]-4-met...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nn(C)\c(=N\C2CCCCC2)s1
Show InChI InChI=1S/C17H22N4OS/c1-12(22)18-15-10-8-13(9-11-15)16-20-21(2)17(23-16)19-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,18,22)/b19-17-
PDB

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Article
PubMed
n/an/a 3.43E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4D3 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4607-13 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.008
BindingDB Entry DOI: 10.7270/Q2377855
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 7B


(Homo sapiens (Human))
BDBM50151526
PNG
(CHEMBL363097 | N-(4-{5-[(Z)-Cyclohexylimino]-4-met...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nn(C)\c(=N\C2CCCCC2)s1
Show InChI InChI=1S/C17H22N4OS/c1-12(22)18-15-10-8-13(9-11-15)16-20-21(2)17(23-16)19-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,18,22)/b19-17-
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 144n/an/an/an/a8.0n/a



Omeros Corporation

US Patent


Assay Description
The assay method used was a scintillation proximity assay (SPA) (obtained from GE Healthcare, Product Code TRKQ7100), with [3H]-cGMP as the substrate...


US Patent US8637528 (2014)


BindingDB Entry DOI: 10.7270/Q29022FT
More data for this
Ligand-Target Pair