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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 FKBP5' and Ligand = 'BDBM50519829'   
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 FKBP5


(Homo sapiens (Human))		BDBM50519829
PNG
(CHEMBL4544909)
Show SMILES [H][C@@]12CCCC[C@@]1([H])[C@@H](CC=C2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r,c:11|
Show InChI InChI=1S/C36H45NO8/c1-42-32-19-17-24(21-33(32)43-2)16-18-31(26-11-7-12-27(22-26)44-23-34(38)39)45-36(41)30-15-5-6-20-37(30)35(40)29-14-8-10-25-9-3-4-13-28(25)29/h7-8,10-12,17,19,21-22,25,28-31H,3-6,9,13-16,18,20,23H2,1-2H3,(H,38,39)/t25-,28+,29+,30-,31+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.40E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Inhibition of human full length N-terminal His-tagged/C-terminal FLAG tagged FKBP51 expressed in Escherichia coli BL21 (DE3) cells incubated for 30 m...

J Med Chem 63: 231-240 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01157
BindingDB Entry DOI: 10.7270/Q2Q52T10
More data for this
Ligand-Target Pair