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BDBM50017305 CHEMBL3287992

SMILES: OCc1nc(cs1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1

InChI Key: InChIKey=IDVQQNLNHIMGCO-PLQXJYEYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017305   
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))
BDBM50017305
PNG
(CHEMBL3287992)
Show SMILES OCc1nc(cs1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1 |r,wU:10.10,13.17,(22.02,-3.74,;21.3,-5.09,;19.76,-5.14,;18.89,-6.41,;17.41,-5.97,;17.36,-4.44,;18.81,-3.92,;16.2,-6.92,;16.2,-8.46,;14.86,-6.14,;13.52,-6.92,;13.52,-8.46,;12.19,-9.22,;10.85,-8.45,;10.85,-6.92,;12.18,-6.14,;9.52,-9.22,;8.18,-8.46,;8.18,-6.92,;6.85,-9.23,;5.52,-8.47,;4.18,-9.24,;2.85,-8.47,;4.18,-10.78,;5.52,-11.56,;6.86,-10.78,;8.19,-11.56,;8.2,-13.1,;6.86,-13.86,;6.86,-15.4,;8.2,-16.18,;9.54,-15.39,;9.53,-13.85,;10.87,-16.15,;10.88,-17.7,;12.21,-18.46,;13.54,-17.68,;14.88,-18.44,;13.53,-16.13,;12.19,-15.37,;12.18,-13.83,;13.51,-13.06,;14.84,-13.82,;16.17,-13.05,;16.16,-11.51,;14.83,-10.75,;13.49,-11.52,)|
Show InChI InChI=1S/C34H36FN5O6S/c35-23-16-29(32(43)37-24-4-6-25(7-5-24)38-33(44)30-20-47-31(19-41)39-30)34(36-17-23)46-27-3-1-2-21(15-27)28-9-8-26(42)14-22(28)18-40-10-12-45-13-11-40/h1-3,8-9,14-17,20,24-25,41-42H,4-7,10-13,18-19H2,(H,37,43)(H,38,44)/t24-,25+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0631n/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