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BDBM50017311 CHEMBL3287997

SMILES: Cc1cccc2nc(cn12)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1

InChI Key: InChIKey=ZZQVIKMAVDANAH-RNPORBBMSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017311   
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))
BDBM50017311
PNG
(CHEMBL3287997)
Show SMILES Cc1cccc2nc(cn12)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1 |r,wU:13.14,16.21,(37.17,-36.87,;38.11,-38.09,;39.63,-37.87,;40.58,-39.09,;39.99,-40.51,;38.48,-40.72,;37.62,-41.99,;36.14,-41.54,;36.09,-40.02,;37.54,-39.5,;34.92,-42.49,;34.92,-44.03,;33.59,-41.72,;32.25,-42.49,;32.24,-44.04,;30.92,-44.8,;29.58,-44.03,;29.57,-42.5,;30.91,-41.72,;28.24,-44.8,;26.91,-44.04,;26.9,-42.5,;25.58,-44.81,;24.24,-44.05,;22.91,-44.82,;21.57,-44.05,;22.9,-46.36,;24.25,-47.14,;25.58,-46.36,;26.92,-47.14,;26.92,-48.68,;25.58,-49.44,;25.59,-50.98,;26.92,-51.76,;28.26,-50.97,;28.25,-49.43,;29.59,-51.73,;29.6,-53.28,;30.94,-54.04,;32.27,-53.26,;33.61,-54.02,;32.25,-51.71,;30.92,-50.95,;30.91,-49.41,;32.23,-48.64,;32.11,-47.11,;33.23,-46.06,;34.75,-46.27,;35.52,-47.59,;34.98,-49.03,;33.51,-49.5,)|
Show InChI InChI=1S/C39H41FN6O5/c1-25-5-2-8-36-44-35(24-46(25)36)38(49)43-30-11-9-29(10-12-30)42-37(48)34-21-28(40)22-41-39(34)51-32-7-3-6-26(20-32)33-14-13-31(47)19-27(33)23-45-15-4-17-50-18-16-45/h2-3,5-8,13-14,19-22,24,29-30,47H,4,9-12,15-18,23H2,1H3,(H,42,48)(H,43,49)/t29-,30+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0316n/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