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BDBM50125363 CHEMBL3623624

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

InChI Key: InChIKey=NANYDKODZUUJMW-YTFBDJPQSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50125363   
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))		BDBM50125363
PNG
(CHEMBL3623624)
Show SMILES COc1ccc(CC[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](C2CCCCC2)C(C)=O)c2cccc(OCCN3CCOCC3)c2)cc1OC |r|
Show InChI InChI=1S/C39H54N2O8/c1-28(42)37(30-10-5-4-6-11-30)38(43)41-19-8-7-14-33(41)39(44)49-34(17-15-29-16-18-35(45-2)36(26-29)46-3)31-12-9-13-32(27-31)48-25-22-40-20-23-47-24-21-40/h9,12-13,16,18,26-27,30,33-34,37H,4-8,10-11,14-15,17,19-25H2,1-3H3/t33-,34+,37+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 2.50E+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