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BDBM50519823 CHEMBL4458102

SMILES: [H][C@@]12CCCC[C@@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1

InChI Key: InChIKey=FKZLRZTWDCCTGF-APMODGHASA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50519823   
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))		BDBM50519823
PNG
(CHEMBL4458102)
Show SMILES [H][C@@]12CCCC[C@@]1([H])[C@@H]([C@@H](C)C=C2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCC(O)=O)c1 |r,c:12|
Show InChI InChI=1S/C37H47NO8/c1-24-14-17-26-9-4-5-12-29(26)35(24)36(41)38-20-7-6-13-30(38)37(42)46-31(27-10-8-11-28(22-27)45-23-34(39)40)18-15-25-16-19-32(43-2)33(21-25)44-3/h8,10-11,14,16-17,19,21-22,24,26,29-31,35H,4-7,9,12-13,15,18,20,23H2,1-3H3,(H,39,40)/t24-,26-,29+,30-,31+,35+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
 2.00E+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