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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Immunophilin FKBP12' and Ligand = 'BDBM23325'   
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))
BDBM23325
PNG
(3,3-dimethyl-1-[(2S)-2-[5-(pyridin-3-yl)pentanoyl]...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1cccnc1 |r|
Show InChI InChI=1S/C21H30N2O3/c1-4-21(2,3)19(25)20(26)23-14-8-11-17(23)18(24)12-6-5-9-16-10-7-13-22-15-16/h7,10,13,15,17H,4-6,8-9,11-12,14H2,1-3H3/t17-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Patents

PubMed
210 -34.9n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



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 45: 3558-68 (2002)


BindingDB Entry DOI: 10.7270/Q2GH9G7G
More data for this
Ligand-Target Pair