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SMILES: OC(=O)Cc1ccc(Nc2nc(nc3CCCSc23)-c2ccc(F)cc2)cc1

InChI Key: InChIKey=MRXFOJGYISURGY-UHFFFAOYSA-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 = 50495776   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50495776
PNG
(CHEMBL3114924)
Show SMILES OC(=O)Cc1ccc(Nc2nc(nc3CCCSc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H18FN3O2S/c22-15-7-5-14(6-8-15)20-24-17-2-1-11-28-19(17)21(25-20)23-16-9-3-13(4-10-16)12-18(26)27/h3-10H,1-2,11-12H2,(H,26,27)(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibition of full-length human PDE4D2 assessed as cAMP hydrolysis preincubated for 20 mins followed by cAMP addition measured after 30 mins


Bioorg Med Chem Lett 24: 893-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.076
BindingDB Entry DOI: 10.7270/Q2GX4FHW
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50495776
PNG
(CHEMBL3114924)
Show SMILES OC(=O)Cc1ccc(Nc2nc(nc3CCCSc23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H18FN3O2S/c22-15-7-5-14(6-8-15)20-24-17-2-1-11-28-19(17)21(25-20)23-16-9-3-13(4-10-16)12-18(26)27/h3-10H,1-2,11-12H2,(H,26,27)(H,23,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibition of full-length human PDE4B2 assessed as cAMP hydrolysis preincubated for 20 mins followed by cAMP addition measured after 30 mins


Bioorg Med Chem Lett 24: 893-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.076
BindingDB Entry DOI: 10.7270/Q2GX4FHW
More data for this
Ligand-Target Pair