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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Immunophilin FKBP12' and Ligand = 'BDBM23394'   
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))
BDBM23394
PNG
(6-methoxy-12-oxo-N-(2,4,5-trifluorophenyl)-11,17-d...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4cc(F)c(F)cc4F)C(=O)N3CCc2c1 |TLB:13:12:8.9.10:28.6.26|
Show InChI InChI=1S/C22H22F3N3O4S/c1-32-13-5-6-14-12(9-13)7-8-27-21(14)19-3-2-4-20(22(27)29)28(19)33(30,31)26-18-11-16(24)15(23)10-17(18)25/h5-6,9-11,19-21,26H,2-4,7-8H2,1H3
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
590n/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