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BDBM50519830 CHEMBL4463025

SMILES: [H][C@@]12CCCC[C@@]1([H])[C@@H](C[C@@H](O)[C@H]2O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1

InChI Key: InChIKey=SLINAUBFOVWOGC-ZRTJJWQRSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50519830   
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))		BDBM50519830
PNG
(CHEMBL4463025)
Show SMILES [H][C@@]12CCCC[C@@]1([H])[C@@H](C[C@@H](O)[C@H]2O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r|
Show InChI InChI=1S/C40H56N2O9/c1-47-36-16-14-27(24-37(36)48-2)13-15-35(28-8-7-9-29(25-28)50-23-20-41-18-21-49-22-19-41)51-40(46)33-12-5-6-17-42(33)39(45)32-26-34(43)38(44)31-11-4-3-10-30(31)32/h7-9,14,16,24-25,30-35,38,43-44H,3-6,10-13,15,17-23,26H2,1-2H3/t30-,31-,32-,33+,34-,35-,38+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 280n/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
More data for this
Ligand-Target Pair