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BDBM336123 US9738676, WS2009/106419, Expl. 15

SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(=O)N2CCOCC2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2[C@H](SCCOc3cc(ccc3CO)C(=O)Nc3c(Cl)cncc3Cl)C(=O)O[C@]12C)OC

InChI Key: InChIKey=ODLXGNROWIUOTC-KJZQAJSUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 336123   
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 4A


(Homo sapiens (Human))		BDBM336123
PNG
(US9738676, WS2009/106419, Expl. 15)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(=O)N2CCOCC2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2[C@H](SCCOc3cc(ccc3CO)C(=O)Nc3c(Cl)cncc3Cl)C(=O)O[C@]12C)OC |r|
Show InChI InChI=1S/C59H86Cl2N4O18S/c1-14-42-59(10)44(49(54(72)83-59)84-22-21-77-41-24-36(15-16-37(41)29-66)52(70)63-45-38(60)27-62-28-39(45)61)32(4)46(67)30(2)25-58(9,75-13)51(82-55-47(68)40(23-31(3)78-55)64(11)56(73)65-17-19-76-20-18-65)33(5)48(34(6)53(71)80-42)81-43-26-57(8,74-12)50(69)35(7)79-43/h15-16,24,27-28,30-35,40,42-44,47-51,55,66,68-69H,14,17-23,25-26,29H2,1-13H3,(H,62,63,70)/t30-,31-,32-,33+,34-,35+,40+,42-,43+,44+,47-,48+,49+,50+,51-,55+,57-,58-,59-/m1/s1
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US Patent
n/an/a 71n/an/an/an/an/an/a



BASILEA PHARMACEUTICA AG

US Patent


Assay Description
PDEs specifically hydrolyze cAMP and/or cGMP and release the product AMP and/or GMP. The potency of PDE inhibition by test compounds is determined wi...

US Patent US9738676 (2017)


BindingDB Entry DOI: 10.7270/Q2Z60R65
More data for this
Ligand-Target Pair