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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 = 'BDBM50519832'   
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))		BDBM50519832
PNG
(CHEMBL4456831)
Show SMILES [H][C@@]12CCCC[C@@]1([H])C(=O)C[C@H](C)[C@H]2C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r|
Show InChI InChI=1S/C41H56N2O8/c1-28-25-35(44)32-11-4-5-12-33(32)39(28)40(45)43-18-7-6-13-34(43)41(46)51-36(16-14-29-15-17-37(47-2)38(26-29)48-3)30-9-8-10-31(27-30)50-24-21-42-19-22-49-23-20-42/h8-10,15,17,26-28,32-34,36,39H,4-7,11-14,16,18-25H2,1-3H3/t28-,32+,33+,34-,36+,39+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 330n/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