new BindingDB logo
myBDB logout

BDBM50017304 CHEMBL3287991

SMILES: Cc1csc(n1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1

InChI Key: InChIKey=HHMHLYOYUICOAC-WMPKNSHKSA-N

Data: 1 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 1 hit for monomerid = 50017304   
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 4B


(Homo sapiens (Human))
BDBM50017304
PNG
(CHEMBL3287991)
Show SMILES Cc1csc(n1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1 |r,wU:9.9,12.16,(40.08,-42.78,;38.55,-42.67,;37.73,-41.37,;36.21,-41.6,;36.13,-43.26,;37.56,-43.85,;34.83,-44.08,;34.83,-45.62,;33.5,-43.3,;32.16,-44.08,;32.15,-45.62,;30.83,-46.38,;29.49,-45.61,;29.48,-44.08,;30.82,-43.3,;28.16,-46.38,;26.82,-45.62,;26.82,-44.08,;25.49,-46.39,;24.16,-45.63,;22.82,-46.4,;21.49,-45.63,;22.82,-47.94,;24.16,-48.72,;25.5,-47.94,;26.83,-48.71,;26.83,-50.25,;25.5,-51.02,;25.5,-52.56,;26.84,-53.33,;28.17,-52.55,;28.16,-51.01,;29.51,-53.31,;29.51,-54.85,;30.85,-55.61,;32.18,-54.84,;33.51,-55.6,;32.16,-53.29,;30.83,-52.53,;30.82,-50.99,;32.14,-50.21,;33.48,-50.97,;34.81,-50.2,;34.8,-48.65,;33.45,-47.89,;32.12,-48.68,)|
Show InChI InChI=1S/C34H36FN5O5S/c1-21-20-46-34(37-21)32(43)39-26-7-5-25(6-8-26)38-31(42)30-17-24(35)18-36-33(30)45-28-4-2-3-22(16-28)29-10-9-27(41)15-23(29)19-40-11-13-44-14-12-40/h2-4,9-10,15-18,20,25-26,41H,5-8,11-14,19H2,1H3,(H,38,42)(H,39,43)/t25-,26+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.0158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4B using [3H]cAMP by packard topcount scintillation counting analysis


J Med Chem 57: 4661-76 (2014)


Article DOI: 10.1021/jm5001216
BindingDB Entry DOI: 10.7270/Q2708302
More data for this
Ligand-Target Pair