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SMILES: CC1OC(O[C@@H]2C[C@@H](O)C(O[C@H]3C[C@@H](O)C(OC4CC(OC5C(C)OC(OC6C(O)CC(O[C@H]7CC[C@@]8(C)[C@H](CC[C@@H]9[C@@H]8CC[C@]8(C)[C@H](CC[C@]98O)C8=CC(=O)OC8)C7)OC6C)C(C)C5O)OC(C)C4C)OC3C)OC2C)[C@H](O)C[C@H]1O

InChI Key: InChIKey=KGXRJXCUGSMKFQ-SAQOKJLRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 435729   
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
UL37 immediate early glycoprotein


(HHV-5)		BDBM435729
PNG
(US10610539, Compound Tris-D-amicetose)
Show SMILES CC1OC(O[C@@H]2C[C@@H](O)C(O[C@H]3C[C@@H](O)C(OC4CC(OC5C(C)OC(OC6C(O)CC(O[C@H]7CC[C@@]8(C)[C@H](CC[C@@H]9[C@@H]8CC[C@]8(C)[C@H](CC[C@]98O)C8=CC(=O)OC8)C7)OC6C)C(C)C5O)OC(C)C4C)OC3C)OC2C)[C@H](O)C[C@H]1O |r,t:55|
Show InChI InChI=1S/C61H98O21/c1-27-29(3)71-51(25-46(27)78-57-44(65)22-48(31(5)74-57)80-58-45(66)23-47(32(6)75-58)79-56-43(64)21-41(62)30(4)73-56)81-54-34(8)76-55(28(2)52(54)68)82-53-33(7)72-50(24-42(53)63)77-37-13-16-59(9)36(20-37)11-12-40-39(59)14-17-60(10)38(15-18-61(40,60)69)35-19-49(67)70-26-35/h19,27-34,36-48,50-58,62-66,68-69H,11-18,20-26H2,1-10H3/t27?,28?,29?,30?,31?,32?,33?,34?,36-,37+,38-,39+,40-,41-,42?,43-,44-,45-,46?,47-,48+,50?,51?,52?,53?,54?,55?,56?,57?,58?,59+,60-,61+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.08E+3n/an/an/an/a



The John Hopkins University

US Patent


Assay Description
The effect of digitoxin analogs on HCMV replication was tested. HFFs were infected with pp28-luciferase HCMV and treated with the compounds (Table 2,...

US Patent US10610539 (2020)


BindingDB Entry DOI: 10.7270/Q27084F9
More data for this
Ligand-Target Pair