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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 = 'BDBM50519837'   
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))		BDBM50519837
PNG
(CHEMBL4576077)
Show SMILES [H][C@@]12CCCC[C@@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r,c:12|
Show InChI InChI=1S/C41H56N2O7/c1-29-14-17-31-9-4-5-12-34(31)39(29)40(44)43-20-7-6-13-35(43)41(45)50-36(18-15-30-16-19-37(46-2)38(27-30)47-3)32-10-8-11-33(28-32)49-26-23-42-21-24-48-25-22-42/h8,10-11,14,16-17,19,27-29,31,34-36,39H,4-7,9,12-13,15,18,20-26H2,1-3H3/t29-,31-,34+,35-,36+,39+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.90E+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