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BDBM50017332 CHEMBL3288021

SMILES: C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@H]3CC[C@H](CC3)NC(=O)c3ncccc3O)c2)C[C@@H](C)N1

InChI Key: InChIKey=OYEUVOUPAFDHRV-BMAQFFHMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017332   
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))
BDBM50017332
PNG
(CHEMBL3288021)
Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2cccc(Oc3ncc(F)cc3C(=O)N[C@H]3CC[C@H](CC3)NC(=O)c3ncccc3O)c2)C[C@@H](C)N1 |r,wU:30.35,27.28,1.0,45.50,(12.67,-41.64,;14,-40.87,;13.99,-39.34,;15.32,-38.58,;15.31,-37.04,;13.97,-36.28,;12.64,-37.05,;11.3,-36.29,;11.3,-34.75,;12.62,-33.97,;13.96,-34.73,;9.96,-33.98,;8.62,-34.77,;7.29,-34,;7.28,-32.45,;8.62,-31.69,;8.62,-30.14,;7.28,-29.37,;5.94,-30.15,;4.6,-29.37,;4.6,-27.82,;3.27,-27.06,;5.94,-27.06,;7.28,-27.82,;8.61,-27.05,;8.6,-25.5,;9.95,-27.81,;11.28,-27.04,;11.27,-25.5,;12.61,-24.72,;13.95,-25.5,;13.95,-27.04,;12.62,-27.81,;15.29,-24.72,;16.63,-25.5,;16.63,-27.04,;17.96,-24.73,;19.29,-25.51,;20.62,-24.74,;20.62,-23.21,;19.28,-22.44,;17.96,-23.21,;16.62,-22.44,;9.95,-32.45,;16.65,-39.33,;16.66,-40.87,;17.99,-41.63,;15.33,-41.64,)|
Show InChI InChI=1S/C37H41FN6O4/c1-23-20-44(21-24(2)41-23)22-25-8-10-26(11-9-25)27-5-3-6-31(17-27)48-37-32(18-28(38)19-40-37)35(46)42-29-12-14-30(15-13-29)43-36(47)34-33(45)7-4-16-39-34/h3-11,16-19,23-24,29-30,41,45H,12-15,20-22H2,1-2H3,(H,42,46)(H,43,47)/t23-,24+,29-,30+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.126n/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