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BDBM50519827 CHEMBL4529763

SMILES: [H][C@@]12CCC[C@@]1([H])[C@@H](CCC2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1

InChI Key: InChIKey=KFHZYOGBKPHXOF-VUXCNYFZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50519827   
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))		BDBM50519827
PNG
(CHEMBL4529763)
Show SMILES [H][C@@]12CCC[C@@]1([H])[C@@H](CCC2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r|
Show InChI InChI=1S/C35H45NO8/c1-41-31-18-16-23(20-32(31)42-2)15-17-30(25-10-5-11-26(21-25)43-22-33(37)38)44-35(40)29-14-3-4-19-36(29)34(39)28-13-7-9-24-8-6-12-27(24)28/h5,10-11,16,18,20-21,24,27-30H,3-4,6-9,12-15,17,19,22H2,1-2H3,(H,37,38)/t24-,27+,28+,29-,30+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2.60E+3n/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