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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Actin, alpha skeletal muscle' and Ligand = 'BDBM50508924'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Actin, alpha skeletal muscle


(Oryctolagus cuniculus)
BDBM50508924
PNG
(CHEMBL4522174)
Show SMILES CO[C@H]1[C@H](O[C@H]2\C=C/C=C/c3coc(n3)[C@H](C)[C@@H](C[C@@H](O)\C=C\C=C\C=C/[C@H](C)[C@H](OC(=O)\C=C/C=C/C=C\C(\C)=C\[C@H]2C)[C@@H](C)[C@@H](O)C[C@@H](C)O)OC)O[C@H](C)[C@@H](O)[C@@H]1OC
Show InChI InChI=1S/C49H71NO12/c1-31-21-15-11-14-18-26-43(54)62-45(35(5)40(53)28-34(4)51)32(2)22-16-12-13-17-24-39(52)29-42(56-8)36(6)48-50-38(30-59-48)23-19-20-25-41(33(3)27-31)61-49-47(58-10)46(57-9)44(55)37(7)60-49/h11-27,30,32-37,39-42,44-47,49,51-53,55H,28-29H2,1-10H3/b13-12+,14-11+,21-15-,22-16-,23-19+,24-17+,25-20-,26-18-,31-27+/t32-,33+,34+,35-,36+,37+,39-,40-,41-,42+,44+,45-,46-,47+,49-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.52E+4n/an/an/an/an/an/a



Ludwig-Maximilians-University

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle alpha-actin polymerization measured after 24 hrs in presence of ATP and fluorescent pyrene-labelled actin by flu...


J Nat Prod 82: 1961-1970 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00335
More data for this
Ligand-Target Pair