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BDBM50335222 1,3-diphenylpropyl 1-(3-methyl-2-oxopentanoyl)piperidine-2-carboxylate::CHEMBL1650944

SMILES: CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccccc1)c1ccccc1

InChI Key: InChIKey=IAJGGCXCYVPYCQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50335222   
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))
BDBM50335222
PNG
(1,3-diphenylpropyl 1-(3-methyl-2-oxopentanoyl)pipe...)
Show SMILES CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H33NO4/c1-3-20(2)25(29)26(30)28-19-11-10-16-23(28)27(31)32-24(22-14-8-5-9-15-22)18-17-21-12-6-4-7-13-21/h4-9,12-15,20,23-24H,3,10-11,16-19H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of human FKBP12 expressed in Escherichia coli by spectrophotometry


J Med Chem 54: 277-83 (2011)


Article DOI: 10.1021/jm101156y
BindingDB Entry DOI: 10.7270/Q2GF0VG2
More data for this
Ligand-Target Pair
Outer membrane protein MIP


(Legionella pneumophila)
BDBM50335222
PNG
(1,3-diphenylpropyl 1-(3-methyl-2-oxopentanoyl)pipe...)
Show SMILES CCC(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H33NO4/c1-3-20(2)25(29)26(30)28-19-11-10-16-23(28)27(31)32-24(22-14-8-5-9-15-22)18-17-21-12-6-4-7-13-21/h4-9,12-15,20,23-24H,3,10-11,16-19H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Wu£rzburg

Curated by ChEMBL


Assay Description
Inhibition of PPIase activity of Legionella pneumophila MIP protein expressed in Escherichia coli by spectrophotometry


J Med Chem 54: 277-83 (2011)


Article DOI: 10.1021/jm101156y
BindingDB Entry DOI: 10.7270/Q2GF0VG2
More data for this
Ligand-Target Pair