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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase A' and Ligand = 'BDBM50125731'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peptidyl-prolyl cis-trans isomerase A


(Rattus norvegicus)
BDBM50125731
PNG
(3,5-Dichloro-N-[3-(3,3-diphenyl-propionylamino)-ph...)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)Nc1cccc(NC(=O)CC(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H22Cl2N2O2/c29-22-14-21(15-23(30)16-22)28(34)32-25-13-7-12-24(17-25)31-27(33)18-26(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-17,26H,18H2,(H,31,33)(H,32,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 870n/an/an/an/an/an/a



Guilford Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of the rotamase activity of cyclophilin A (CyPA)


J Med Chem 46: 1112-5 (2003)


Article DOI: 10.1021/jm020409u
BindingDB Entry DOI: 10.7270/Q2V1244X
More data for this
Ligand-Target Pair