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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 = 'BDBM50519825'   
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))		BDBM50519825
PNG
(CHEMBL4472069)
Show SMILES [H][C@@]12CCCC[C@@]1([H])[C@@H](CC(=O)C2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r|
Show InChI InChI=1S/C40H54N2O8/c1-46-37-16-14-28(24-38(37)47-2)13-15-36(30-9-7-10-32(26-30)49-23-20-41-18-21-48-22-19-41)50-40(45)35-12-5-6-17-42(35)39(44)34-27-31(43)25-29-8-3-4-11-33(29)34/h7,9-10,14,16,24,26,29,33-36H,3-6,8,11-13,15,17-23,25,27H2,1-2H3/t29-,33+,34+,35-,36+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.30E+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