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BDBM50334100 CHEMBL1644920::methyl 2-((4R,5R,8R,9R,10R,13S,14R,15R)-4-(2-methoxy-2-oxoethyl)-4,9,10-trimethyl-15-(prop-1-en-2-yl)-13-(trityloxymethyl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-methylpropanoate

SMILES: COC(=O)C[C@@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3[C@@H](CC[C@]3(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@@]21C)C(C)=C)C(C)(C)C(=O)OC

InChI Key: InChIKey=WNFNOEWYRUOREW-MWDQPZIQSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50334100   
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))		BDBM50334100
PNG
(CHEMBL1644920 | methyl 2-((4R,5R,8R,9R,10R,13S,14R...)
Show SMILES COC(=O)C[C@@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3[C@@H](CC[C@]3(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@@]21C)C(C)=C)C(C)(C)C(=O)OC |r|
Show InChI InChI=1S/C51H66O5/c1-35(2)39-27-30-50(34-56-51(36-19-13-10-14-20-36,37-21-15-11-16-22-37)38-23-17-12-18-24-38)32-31-48(6)40(44(39)50)25-26-42-47(5,33-43(52)54-8)41(28-29-49(42,48)7)46(3,4)45(53)55-9/h10-24,39-42,44H,1,25-34H2,2-9H3/t39-,40+,41-,42+,44+,47-,48+,49+,50+/m0/s1
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Similars
Article
PubMed
n/an/a 2.87E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase a

Bioorg Med Chem Lett 21: 338-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.004
BindingDB Entry DOI: 10.7270/Q2MC909F
More data for this
Ligand-Target Pair