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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Immunophilin FKBP12' and Ligand = 'BDBM23367'   
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))
BDBM23367
PNG
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccs4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.24|
Show InChI InChI=1S/C23H24N2O5S/c1-29-14-11-13-8-9-24-20(19(13)17(12-14)30-2)15-5-3-6-16(22(24)27)25(15)23(28)21(26)18-7-4-10-31-18/h4,7,10-12,15-16,20H,3,5-6,8-9H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
107n/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