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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50008389   
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
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50518736
PNG
(CHEMBL4526940)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)\N=C1/C=C(SCC(O)=O)C(=O)c2ccccc12 |t:16|
Show InChI InChI=1S/C22H21NO5S2/c1-22(2,3)14-8-10-15(11-9-14)30(27,28)23-18-12-19(29-13-20(24)25)21(26)17-7-5-4-6-16(17)18/h4-12H,13H2,1-3H3,(H,24,25)/b23-18+
PDB
MMDB

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MCE
PC cid
PC sid
UniChem
Article
PubMed
625n/an/an/an/an/an/an/an/a



Nagoya Citi University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Pin1 (unknown origin) using Suc-AEPF-MCA as substrate preincubated followed by substrate addition and measured after 60 to ...


Bioorg Med Chem Lett 29: 353-356 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.044
BindingDB Entry DOI: 10.7270/Q27D2ZH0
More data for this
Ligand-Target Pair