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BDBM50067007 (S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2-carboxylic acid 3-phenyl-propyl ester::CHEMBL338562

SMILES: CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1ccccc1

InChI Key: InChIKey=NDOQQTZEXVGVQK-KRWDZBQOSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50067007   
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 FKBP1A


(Homo sapiens (Human))
BDBM50067007
PNG
((S)-1-(3,3-Dimethyl-2-oxo-pentanoyl)-pyrrolidine-2...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1ccccc1
Show InChI InChI=1S/C21H29NO4/c1-4-21(2,3)18(23)19(24)22-14-8-13-17(22)20(25)26-15-9-12-16-10-6-5-7-11-16/h5-7,10-11,17H,4,8-9,12-15H2,1-3H3/t17-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Patents

Article
PubMed
42n/an/an/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against rotamase


J Med Chem 41: 3928-39 (1998)


Article DOI: 10.1021/jm980062o
BindingDB Entry DOI: 10.7270/Q2SB44W1
More data for this
Ligand-Target Pair