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BDBM50017321 CHEMBL3288006

SMILES: CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@H]2CC[C@H](CC2)NC(=O)c2cccc3[nH]cnc23)c1

InChI Key: InChIKey=SHSLIWBXBWXQAH-PLQXJYEYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017321   
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))		BDBM50017321
PNG
(CHEMBL3288006)
Show SMILES CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@H]2CC[C@H](CC2)NC(=O)c2cccc3[nH]cnc23)c1 |r,wU:30.35,27.28,(14.62,-29.31,;13.28,-28.54,;13.27,-27,;11.95,-29.32,;11.97,-30.86,;13.31,-31.62,;13.32,-33.17,;14.66,-33.93,;11.98,-33.95,;10.65,-33.19,;10.64,-31.64,;9.31,-30.88,;7.97,-31.66,;6.63,-30.89,;6.63,-29.35,;7.96,-28.58,;7.96,-27.04,;6.63,-26.26,;5.29,-27.04,;3.94,-26.26,;3.95,-24.72,;2.61,-23.95,;5.28,-23.95,;6.62,-24.71,;7.95,-23.94,;7.95,-22.4,;9.29,-24.7,;10.62,-23.93,;10.62,-22.39,;11.96,-21.62,;13.3,-22.39,;13.29,-23.93,;11.97,-24.7,;14.64,-21.62,;15.97,-22.39,;15.97,-23.93,;17.31,-21.62,;17.3,-20.09,;18.62,-19.32,;19.96,-20.09,;19.96,-21.63,;21.09,-22.66,;20.47,-24.05,;18.94,-23.89,;18.63,-22.39,;9.3,-29.34,)|
Show InChI InChI=1S/C35H35FN6O4/c1-42(2)19-22-15-26(43)13-14-28(22)21-5-3-6-27(16-21)46-35-30(17-23(36)18-37-35)34(45)41-25-11-9-24(10-12-25)40-33(44)29-7-4-8-31-32(29)39-20-38-31/h3-8,13-18,20,24-25,43H,9-12,19H2,1-2H3,(H,38,39)(H,40,44)(H,41,45)/t24-,25+
PDB

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PubMed
n/an/a 0.0501n/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