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BDBM50017302 CHEMBL3287989

SMILES: CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2csc(C)n2)c1

InChI Key: InChIKey=SHQDMXDGBWKKKZ-PSWAGMNNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017302   
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
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50017302
PNG
(CHEMBL3287989)
Show SMILES CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2csc(C)n2)c1 |r,wU:27.28,30.35,(14.8,-31.05,;13.47,-30.29,;13.45,-28.75,;12.14,-31.07,;12.15,-32.61,;13.49,-33.36,;13.5,-34.91,;14.84,-35.67,;12.17,-35.69,;10.84,-34.92,;10.83,-33.38,;9.5,-32.62,;8.16,-33.4,;6.82,-32.63,;6.82,-31.1,;8.16,-30.33,;8.15,-28.79,;6.82,-28.02,;5.48,-28.79,;4.15,-28.02,;4.15,-26.48,;2.82,-25.71,;5.48,-25.7,;6.81,-26.47,;8.15,-25.69,;8.14,-24.15,;9.48,-26.46,;10.81,-25.68,;12.15,-26.46,;13.48,-25.69,;13.48,-24.15,;12.15,-23.38,;10.81,-24.15,;14.82,-23.38,;16.15,-24.15,;16.15,-25.69,;17.37,-23.2,;17.32,-21.68,;18.77,-21.16,;19.71,-22.37,;21.25,-22.33,;18.85,-23.65,;9.49,-31.09,)|
Show InChI InChI=1S/C32H34FN5O4S/c1-19-35-29(18-43-19)31(41)37-24-9-7-23(8-10-24)36-30(40)28-15-22(33)16-34-32(28)42-26-6-4-5-20(14-26)27-12-11-25(39)13-21(27)17-38(2)3/h4-6,11-16,18,23-24,39H,7-10,17H2,1-3H3,(H,36,40)(H,37,41)/t23-,24+
PDB

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Similars
Article
PubMed
n/an/a 0.0316n/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