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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Immunophilin FKBP12' and Ligand = 'BDBM23383'   
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
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23383
PNG
(4,6-dimethoxy-N-(2-methoxyphenyl)-12-oxo-11,17-dia...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccccc4OC)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.26|
Show InChI InChI=1S/C25H29N3O5/c1-31-16-13-15-11-12-27-23(22(15)21(14-16)33-3)18-8-6-9-19(24(27)29)28(18)25(30)26-17-7-4-5-10-20(17)32-2/h4-5,7,10,13-14,18-19,23H,6,8-9,11-12H2,1-3H3,(H,26,30)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
357n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)


Article DOI: 10.1021/jm049161u
BindingDB Entry DOI: 10.7270/Q2BR8QG9
More data for this
Ligand-Target Pair