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BDBM50113113 (S)-1-Phenylmethanesulfonyl-piperidine-2-carboxylic acid (4-phenyl-butyl)-amide::CHEMBL33299

SMILES: O=C(NCCCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1

InChI Key: InChIKey=MMDVXBYBUCASBB-QFIPXVFZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113113   
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))
BDBM50113113
PNG
((S)-1-Phenylmethanesulfonyl-piperidine-2-carboxyli...)
Show SMILES O=C(NCCCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H30N2O3S/c26-23(24-17-9-7-13-20-11-3-1-4-12-20)22-16-8-10-18-25(22)29(27,28)19-21-14-5-2-6-15-21/h1-6,11-12,14-15,22H,7-10,13,16-19H2,(H,24,26)/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
110n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12


Bioorg Med Chem Lett 12: 1429-33 (2002)


BindingDB Entry DOI: 10.7270/Q23J3C9S
More data for this
Ligand-Target Pair