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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50162683'   
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))		BDBM50162683
PNG
(CHEMBL3792567)
Show SMILES COc1cc(cc(OC)c1OC)[C@H](C1CCCCC1)C(=O)N1CCCC[C@H]1C(=O)NC1(CCC1)C(N)=O |r|
Show InChI InChI=1S/C28H41N3O6/c1-35-21-16-19(17-22(36-2)24(21)37-3)23(18-10-5-4-6-11-18)26(33)31-15-8-7-12-20(31)25(32)30-28(27(29)34)13-9-14-28/h16-18,20,23H,4-15H2,1-3H3,(H2,29,34)(H,30,32)/t20-,23-/m0/s1
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Similars
Article
PubMed
 2.34E+4n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...

J Med Chem 59: 2410-22 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01355
BindingDB Entry DOI: 10.7270/Q2BZ67Z3
More data for this
Ligand-Target Pair