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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Immunophilin FKBP12' and Ligand = 'BDBM23371'   
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))
BDBM23371
PNG
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cc5ccccc5[nH]4)C3=O)c2c(OC)c1 |TLB:15:14:10.11.12:7.8.28|
Show InChI InChI=1S/C27H27N3O5/c1-34-17-12-16-10-11-29-24(23(16)22(14-17)35-2)20-8-5-9-21(26(29)32)30(20)27(33)25(31)19-13-15-6-3-4-7-18(15)28-19/h3-4,6-7,12-14,20-21,24,28H,5,8-11H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
2.30E+3n/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