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BDBM50125323 CHEMBL3623621

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

InChI Key: InChIKey=RBLHYUSDMMXIOI-ZTJXOPACSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50125323   
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))		BDBM50125323
PNG
(CHEMBL3623621)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](COC(C)=O)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
Show InChI InChI=1S/C40H56N2O9/c1-29(43)50-28-34(31-10-5-4-6-11-31)39(44)42-19-8-7-14-35(42)40(45)51-36(17-15-30-16-18-37(46-2)38(26-30)47-3)32-12-9-13-33(27-32)49-25-22-41-20-23-48-24-21-41/h9,12-13,16,18,26-27,31,34-36H,4-8,10-11,14-15,17,19-25,28H2,1-3H3/t34-,35+,36-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.10E+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)


BindingDB Entry DOI: 10.7270/Q25Q4XWR
More data for this
Ligand-Target Pair