BDBM50162684 CHEMBL3793603

SMILES COc1cc(cc(c1OC)OC)[C@H](C2CCCCC2)C(=O)N3CCCC[C@H]3C(=O)NC4(CCCC4)C(=O)N

InChI Key InChIKey=CLJLSNLSXOZRQP-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50162684   

TargetPeptidyl-prolyl cis-trans isomerase FKBP5(Human)
Max Planck Institute of Psychiatry

Curated by ChEMBL
LigandPNGBDBM50162684(CHEMBL3793603)
Affinity DataKi:  140nMAssay Description:Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeptidyl-prolyl cis-trans isomerase FKBP1A(Human)
Max Planck Institute of Psychiatry

Curated by ChEMBL
LigandPNGBDBM50162684(CHEMBL3793603)
Affinity DataKi:  3.80E+3nMAssay Description:Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2017
Entry Details Article
PubMed