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BDBM50017340 CHEMBL3113734

SMILES: Cc1ccc(O)c(c1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1ccc(F)c(F)c1

InChI Key: InChIKey=OHIUQAZROSYCMC-CALCHBBNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017340   
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))		BDBM50017340
PNG
(CHEMBL3113734)
Show SMILES Cc1ccc(O)c(c1)C(=O)N[C@H]1CC[C@H](CC1)NC(=O)c1cc(F)cnc1Oc1ccc(F)c(F)c1 |r,wU:14.18,11.11,(24.27,-11.72,;24.28,-13.26,;25.62,-14.03,;25.62,-15.57,;24.29,-16.34,;24.28,-17.88,;22.96,-15.57,;22.95,-14.04,;21.63,-16.34,;21.63,-17.88,;20.29,-15.57,;18.96,-16.34,;18.96,-17.88,;17.63,-18.65,;16.29,-17.87,;16.28,-16.34,;17.62,-15.57,;14.96,-18.65,;13.62,-17.88,;13.62,-16.34,;12.29,-18.66,;10.95,-17.9,;9.63,-18.67,;8.29,-17.9,;9.62,-20.21,;10.96,-20.98,;12.3,-20.21,;13.63,-20.98,;13.63,-22.52,;12.3,-23.29,;12.3,-24.83,;13.64,-25.6,;13.64,-27.14,;14.97,-24.81,;16.31,-25.58,;14.96,-23.28,)|
Show InChI InChI=1S/C26H24F3N3O4/c1-14-2-9-23(33)19(10-14)24(34)31-16-3-5-17(6-4-16)32-25(35)20-11-15(27)13-30-26(20)36-18-7-8-21(28)22(29)12-18/h2,7-13,16-17,33H,3-6H2,1H3,(H,31,34)(H,32,35)/t16-,17+
PDB

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Similars
Article
PubMed
n/an/a 0.631n/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