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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50067005'   
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 FKBP1A


(Homo sapiens (Human))
BDBM50067005
PNG
((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H33NO4/c1-4-27(2,3)24(29)25(30)28-19-11-16-22(28)26(31)32-23(21-14-9-6-10-15-21)18-17-20-12-7-5-8-13-20/h5-10,12-15,22-23H,4,11,16-19H2,1-3H3/t22-,23+/m0/s1
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Patents

Article
PubMed
52n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against rotamase


J Med Chem 41: 3928-39 (1998)


Article DOI: 10.1021/jm980062o
BindingDB Entry DOI: 10.7270/Q2SB44W1
More data for this
Ligand-Target Pair