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BDBM50125338 CHEMBL3623625

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

InChI Key: InChIKey=VQUPFINQQWGWJI-KMANDWRCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50125338   
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))		BDBM50125338
PNG
(CHEMBL3623625)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H]([C@H](O)\C=C\C)C2CCCCC2)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
Show InChI InChI=1S/C41H58N2O8/c1-4-11-35(44)39(31-12-6-5-7-13-31)40(45)43-21-9-8-16-34(43)41(46)51-36(19-17-30-18-20-37(47-2)38(28-30)48-3)32-14-10-15-33(29-32)50-27-24-42-22-25-49-26-23-42/h4,10-11,14-15,18,20,28-29,31,34-36,39,44H,5-9,12-13,16-17,19,21-27H2,1-3H3/b11-4+/t34-,35+,36+,39-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.10E+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