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BDBM50519833 CHEMBL4455851

SMILES: [H][C@@]12CCCC[C@@]1([H])[C@@H](CC=C2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1

InChI Key: InChIKey=JVJUDIHKRFSLHB-VYDCYJSHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50519833   
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))		BDBM50519833
PNG
(CHEMBL4455851)
Show SMILES [H][C@@]12CCCC[C@@]1([H])[C@@H](CC=C2)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1cccc(OCCN2CCOCC2)c1 |r,c:11|
Show InChI InChI=1S/C40H54N2O7/c1-45-37-19-17-29(27-38(37)46-2)16-18-36(31-11-7-12-32(28-31)48-26-23-41-21-24-47-25-22-41)49-40(44)35-15-5-6-20-42(35)39(43)34-14-8-10-30-9-3-4-13-33(30)34/h7-8,10-12,17,19,27-28,30,33-36H,3-6,9,13-16,18,20-26H2,1-2H3/t30-,33+,34+,35-,36+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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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