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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4B' and Ligand = 'BDBM50017303'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50017303
PNG
(CHEMBL3287990)
Show SMILES Cc1nc(cs1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCCOCC1 |r,wU:12.16,9.9,(25.66,-22.69,;24.12,-22.74,;23.26,-24.01,;21.78,-23.57,;21.73,-22.05,;23.18,-21.52,;20.56,-24.51,;20.56,-26.05,;19.23,-23.74,;17.89,-24.51,;17.89,-26.05,;16.56,-26.82,;15.22,-26.05,;15.22,-24.52,;16.56,-23.74,;13.89,-26.82,;12.56,-26.06,;12.55,-24.52,;11.22,-26.83,;9.89,-26.07,;8.56,-26.84,;7.23,-26.07,;8.56,-28.38,;9.89,-29.15,;11.23,-28.38,;12.56,-29.15,;12.57,-30.69,;11.23,-31.46,;11.23,-33,;12.57,-33.77,;13.91,-32.99,;13.9,-31.45,;15.24,-33.75,;15.25,-35.29,;16.58,-36.05,;17.91,-35.27,;19.25,-36.04,;17.9,-33.73,;16.56,-32.97,;16.55,-31.43,;17.88,-30.65,;17.75,-29.12,;18.87,-28.06,;20.4,-28.27,;21.17,-29.6,;20.63,-31.04,;19.16,-31.51,)|
Show InChI InChI=1S/C35H38FN5O5S/c1-22-38-32(21-47-22)34(44)40-27-8-6-26(7-9-27)39-33(43)31-18-25(36)19-37-35(31)46-29-5-2-4-23(17-29)30-11-10-28(42)16-24(30)20-41-12-3-14-45-15-13-41/h2,4-5,10-11,16-19,21,26-27,42H,3,6-9,12-15,20H2,1H3,(H,39,43)(H,40,44)/t26-,27+
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Article
PubMed
n/an/a 0.0200n/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