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BDBM50017308 CHEMBL3287995

SMILES: Cc1cccc2nc(cn12)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1

InChI Key: InChIKey=OTNQYGNDXUAMEA-ISILISOKSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017308   
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))
BDBM50017308
PNG
(CHEMBL3287995)
Show SMILES Cc1cccc2nc(cn12)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1 |r,wU:13.14,16.21,(37.17,-18.1,;38.11,-19.31,;39.63,-19.1,;40.58,-20.32,;39.99,-21.74,;38.48,-21.94,;37.62,-23.22,;36.14,-22.77,;36.09,-21.25,;37.54,-20.73,;34.92,-23.72,;34.92,-25.26,;33.59,-22.95,;32.24,-23.72,;32.24,-25.26,;30.91,-26.03,;29.57,-25.26,;29.57,-23.72,;30.91,-22.95,;28.24,-26.03,;26.91,-25.27,;26.9,-23.73,;25.57,-26.04,;24.24,-25.28,;22.9,-26.05,;21.57,-25.28,;22.9,-27.59,;24.24,-28.37,;25.58,-27.59,;26.91,-28.36,;26.92,-29.91,;25.58,-30.67,;25.58,-32.21,;26.92,-32.99,;28.26,-32.2,;28.25,-30.66,;29.59,-32.96,;29.6,-34.51,;30.93,-35.27,;32.27,-34.49,;33.6,-35.25,;32.25,-32.94,;30.92,-32.18,;30.9,-30.64,;32.23,-29.86,;33.57,-30.63,;34.89,-29.86,;34.89,-28.32,;33.55,-27.56,;32.22,-28.33,)|
Show InChI InChI=1S/C38H39FN6O5/c1-24-4-2-7-35-43-34(23-45(24)35)37(48)42-29-10-8-28(9-11-29)41-36(47)33-20-27(39)21-40-38(33)50-31-6-3-5-25(19-31)32-13-12-30(46)18-26(32)22-44-14-16-49-17-15-44/h2-7,12-13,18-21,23,28-29,46H,8-11,14-17,22H2,1H3,(H,41,47)(H,42,48)/t28-,29+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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