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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ubiquitin-like modifier-activating enzyme 1' and Ligand = 'BDBM50387036'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM50387036
PNG
(CHEMBL2046774)
Show SMILES CC(C)(O)\C=C\[C@@]12[C@@H]3C=C4[C@@H]([C@@H](O)[C@@H]5O[C@@H]5C4=O)[C@@H]1[C@@H](O)[C@@H]1O[C@@H]1[C@]2(O)OC3(C)C |r,c:8|
Show InChI InChI=1S/C22H28O8/c1-19(2,26)5-6-21-9-7-8-10(13(24)16-15(28-16)12(8)23)11(21)14(25)17-18(29-17)22(21,27)30-20(9,3)4/h5-7,9-11,13-18,24-27H,1-4H3/b6-5+/t9-,10-,11-,13-,14-,15-,16+,17+,18+,21-,22+/m1/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of ubiquitin-activating enzyme E1


Bioorg Med Chem 20: 4437-42 (2012)


Article DOI: 10.1016/j.bmc.2012.05.044
BindingDB Entry DOI: 10.7270/Q2WH2R2M
More data for this
Ligand-Target Pair