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BDBM50303214 4-(6-((1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13bR)-9-acetoxy-8-(acetoxymethyl)-5a,5b,8,11a-tetramethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxamido)hexylamino)-4-oxobut-2-enoic acid::CHEMBL568204

SMILES: CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@@H](CC[C@@]3(CC[C@@]12C)C(=O)NCCCCCCNC(=O)\C=C\C(O)=O)C(C)=C)OC(C)=O

InChI Key: InChIKey=NZLYSYYMSCWCHI-GDOXRZMMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50303214   
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
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM50303214
PNG
(4-(6-((1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13bR)-9-...)
Show SMILES CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@@H](CC[C@@]3(CC[C@@]12C)C(=O)NCCCCCCNC(=O)\C=C\C(O)=O)C(C)=C)OC(C)=O
Show InChI InChI=1S/C44H68N2O8/c1-28(2)31-17-22-44(39(52)46-26-12-10-9-11-25-45-36(49)15-16-37(50)51)24-23-42(7)32(38(31)44)13-14-34-40(5)20-19-35(54-30(4)48)41(6,27-53-29(3)47)33(40)18-21-43(34,42)8/h15-16,31-35,38H,1,9-14,17-27H2,2-8H3,(H,45,49)(H,46,52)(H,50,51)/b16-15+/t31-,32+,33+,34+,35-,38+,40-,41-,42+,43+,44-/m0/s1
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Similars
Article
PubMed
n/an/a 5.48E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins

Bioorg Med Chem Lett 19: 6966-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.055
BindingDB Entry DOI: 10.7270/Q28G8MNX
More data for this
Ligand-Target Pair