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BDBM50017301 CHEMBL3287988

SMILES: Cc1nc(cs1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1

InChI Key: InChIKey=PMZUGYSCCVZJQF-WMPKNSHKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017301   
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))
BDBM50017301
PNG
(CHEMBL3287988)
Show SMILES Cc1nc(cs1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1 |r,wU:12.16,9.9,(23.21,-22.73,;21.67,-22.78,;20.81,-24.05,;19.33,-23.61,;19.28,-22.09,;20.73,-21.56,;18.11,-24.55,;18.11,-26.09,;16.78,-23.78,;15.44,-24.55,;15.44,-26.09,;14.11,-26.86,;12.77,-26.09,;12.77,-24.55,;14.11,-23.78,;11.44,-26.86,;10.11,-26.1,;10.1,-24.56,;8.77,-26.87,;7.44,-26.11,;6.11,-26.88,;4.78,-26.11,;6.11,-28.42,;7.44,-29.19,;8.78,-28.42,;10.11,-29.19,;10.12,-30.73,;8.78,-31.5,;8.78,-33.04,;10.12,-33.81,;11.46,-33.03,;11.45,-31.49,;12.79,-33.79,;12.8,-35.33,;14.13,-36.09,;15.46,-35.31,;16.8,-36.07,;15.45,-33.77,;14.11,-33.01,;14.1,-31.47,;15.43,-30.69,;16.76,-31.45,;18.09,-30.67,;18.08,-29.13,;16.73,-28.37,;15.41,-29.15,)|
Show InChI InChI=1S/C34H36FN5O5S/c1-21-37-31(20-46-21)33(43)39-26-7-5-25(6-8-26)38-32(42)30-17-24(35)18-36-34(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
Article
PubMed
n/an/a 0.0251n/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