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BDBM50125335 CHEMBL3623628

SMILES: COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H]([C@H](O)CC(C)C)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC

InChI Key: InChIKey=APLZHKKBYPDDKH-SANCRELHNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50125335   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50125335
PNG
(CHEMBL3623628)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H]([C@H](O)CC(C)C)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC
Show InChI InChI=1/C42H62N2O8/c1-30(2)27-36(45)40(32-11-6-5-7-12-32)41(46)44-20-9-8-15-35(44)42(47)52-37(18-16-31-17-19-38(48-3)39(28-31)49-4)33-13-10-14-34(29-33)51-26-23-43-21-24-50-25-22-43/h10,13-14,17,19,28-30,32,35-37,40,45H,5-9,11-12,15-16,18,20-27H2,1-4H3/t35-,36+,37+,40-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.00E+3n/an/an/an/an/an/an/an/a



Max Planck Institute of Psychiatry

Curated by ChEMBL


Assay Description
Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay


J Med Chem 58: 7796-806 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00785
BindingDB Entry DOI: 10.7270/Q25Q4XWR
More data for this
Ligand-Target Pair