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BDBM50017314 CHEMBL3288000

SMILES: Cc1cccc(O)c1C(=O)N[C@@H]1CC[C@@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1

InChI Key: InChIKey=LFNCYAMTTNERTN-HNRBIFIRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50017314   
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))		BDBM50017314
PNG
(CHEMBL3288000)
Show SMILES Cc1cccc(O)c1C(=O)N[C@@H]1CC[C@@H](CC1)NC(=O)c1cc(F)cnc1Oc1cccc(c1)-c1ccc(O)cc1CN1CCOCC1 |r,wU:11.11,14.18,(36.27,-27.14,;36.28,-25.6,;37.61,-24.84,;37.61,-23.3,;36.27,-22.53,;34.95,-23.3,;33.61,-22.54,;34.95,-24.83,;33.62,-25.6,;33.62,-27.14,;32.29,-24.82,;30.94,-25.6,;29.61,-24.82,;28.27,-25.6,;28.27,-27.13,;29.61,-27.91,;30.94,-27.14,;26.94,-27.91,;25.6,-27.14,;25.6,-25.6,;24.27,-27.92,;22.93,-27.16,;21.6,-27.92,;20.26,-27.16,;21.59,-29.47,;22.94,-30.25,;24.28,-29.47,;25.61,-30.24,;25.61,-31.78,;24.28,-32.55,;24.28,-34.09,;25.62,-34.87,;26.96,-34.08,;26.95,-32.54,;28.29,-34.84,;28.3,-36.39,;29.63,-37.15,;30.97,-36.38,;32.31,-37.13,;30.95,-34.82,;29.62,-34.06,;29.6,-32.52,;30.93,-31.74,;32.27,-32.51,;33.59,-31.74,;33.59,-30.2,;32.25,-29.43,;30.92,-30.21,)|
Show InChI InChI=1S/C37H39FN4O6/c1-23-4-2-7-33(44)34(23)36(46)41-28-10-8-27(9-11-28)40-35(45)32-20-26(38)21-39-37(32)48-30-6-3-5-24(19-30)31-13-12-29(43)18-25(31)22-42-14-16-47-17-15-42/h2-7,12-13,18-21,27-28,43-44H,8-11,14-17,22H2,1H3,(H,40,45)(H,41,46)/t27-,28+
PDB

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UniProtKB/TrEMBL

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Similars
Article
PubMed
n/an/a 0.0251n/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