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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50335223   
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
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))
BDBM50335223
PNG
(3-(3,4,5-trimethoxyphenyl)propyl 1-(3-methyl-2-oxo...)
Show SMILES CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C24H35NO7/c1-6-16(2)21(26)23(27)25-12-8-7-11-18(25)24(28)32-13-9-10-17-14-19(29-3)22(31-5)20(15-17)30-4/h14-16,18H,6-13H2,1-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of human FKBP12 expressed in Escherichia coli by spectrophotometry


J Med Chem 54: 277-83 (2011)


Article DOI: 10.1021/jm101156y
BindingDB Entry DOI: 10.7270/Q2GF0VG2
More data for this
Ligand-Target Pair
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50335223
PNG
(3-(3,4,5-trimethoxyphenyl)propyl 1-(3-methyl-2-oxo...)
Show SMILES CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C24H35NO7/c1-6-16(2)21(26)23(27)25-12-8-7-11-18(25)24(28)32-13-9-10-17-14-19(29-3)22(31-5)20(15-17)30-4/h14-16,18H,6-13H2,1-5H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry


J Med Chem 54: 277-83 (2011)


Article DOI: 10.1021/jm101156y
BindingDB Entry DOI: 10.7270/Q2GF0VG2
More data for this
Ligand-Target Pair