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BDBM50519826 CHEMBL4529116

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

InChI Key: InChIKey=JQSZJISUOIXTGN-HGQOMCLLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50519826   
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))		BDBM50519826
PNG
(CHEMBL4529116)
Show SMILES [H][C@@]12CCC[C@@]1([H])C(=O)CC[C@H]2C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r|
Show InChI InChI=1S/C35H43NO9/c1-42-31-17-13-22(19-32(31)43-2)12-16-30(23-7-5-8-24(20-23)44-21-33(38)39)45-35(41)28-11-3-4-18-36(28)34(40)27-14-15-29(37)26-10-6-9-25(26)27/h5,7-8,13,17,19-20,25-28,30H,3-4,6,9-12,14-16,18,21H2,1-2H3,(H,38,39)/t25-,26-,27-,28+,30-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
 3.10E+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