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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 = 'BDBM50125719'   
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)
BDBM50125719
PNG
(3,5-Dichloro-N-{3-[3-(2-ethyl-phenyl)-ureido]-phen...)
Show SMILES CCc1ccccc1NC(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C22H19Cl2N3O2/c1-2-14-6-3-4-9-20(14)27-22(29)26-19-8-5-7-18(13-19)25-21(28)15-10-16(23)12-17(24)11-15/h3-13H,2H2,1H3,(H,25,28)(H2,26,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.41E+3n/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