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BDBM50017310 CHEMBL3287996

SMILES: CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2cn3c(C)cccc3n2)c1

InChI Key: InChIKey=KGEIAZQIRCWTQH-MKPDMIMOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017310   
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))		BDBM50017310
PNG
(CHEMBL3287996)
Show SMILES CN(C)Cc1cc(O)ccc1-c1cccc(Oc2ncc(F)cc2C(=O)N[C@@H]2CC[C@@H](CC2)NC(=O)c2cn3c(C)cccc3n2)c1 |r,wU:30.35,27.28,(12.31,-47.81,;10.97,-47.04,;10.96,-45.5,;9.64,-47.81,;9.66,-49.36,;10.99,-50.12,;11.01,-51.67,;12.35,-52.42,;9.67,-52.44,;8.34,-51.68,;8.33,-50.14,;7,-49.37,;5.66,-50.16,;4.32,-49.38,;4.32,-47.84,;5.66,-47.08,;5.65,-45.54,;4.32,-44.76,;2.98,-45.54,;1.64,-44.76,;1.64,-43.22,;.31,-42.45,;2.98,-42.45,;4.31,-43.21,;5.65,-42.44,;5.64,-40.9,;6.98,-43.2,;8.31,-42.43,;9.66,-43.2,;10.98,-42.44,;10.98,-40.89,;9.65,-40.12,;8.31,-40.9,;12.33,-40.12,;13.66,-40.89,;13.66,-42.43,;14.88,-39.94,;14.83,-38.42,;16.28,-37.9,;16.85,-36.48,;15.91,-35.27,;18.37,-36.27,;19.32,-37.49,;18.74,-38.91,;17.22,-39.11,;16.36,-40.39,;6.99,-47.84,)|
Show InChI InChI=1S/C36H37FN6O4/c1-22-6-4-9-33-41-32(21-43(22)33)35(46)40-27-12-10-26(11-13-27)39-34(45)31-18-25(37)19-38-36(31)47-29-8-5-7-23(17-29)30-15-14-28(44)16-24(30)20-42(2)3/h4-9,14-19,21,26-27,44H,10-13,20H2,1-3H3,(H,39,45)(H,40,46)/t26-,27+
PDB

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Similars
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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