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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase D' and Ligand = 'BDBM50164665'   
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 D


(Homo sapiens (Human))
BDBM50164665
PNG
(CHEMBL3797675)
Show SMILES CCOC(=O)CNC(=O)NCc1ccccc1
Show InChI InChI=1S/C12H16N2O3/c1-2-17-11(15)9-14-12(16)13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,13,14,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
6.30E+4n/an/an/an/an/an/an/an/a



University of Liverpool

Curated by ChEMBL


Assay Description
Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...


J Med Chem 59: 2596-611 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01801
BindingDB Entry DOI: 10.7270/Q2474CR6
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM50164665
PNG
(CHEMBL3797675)
Show SMILES CCOC(=O)CNC(=O)NCc1ccccc1
Show InChI InChI=1S/C12H16N2O3/c1-2-17-11(15)9-14-12(16)13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,13,14,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/a 9.73E+4n/an/an/an/an/a



University of Liverpool

Curated by ChEMBL


Assay Description
Binding affinity to Cyclophilin D (unknown origin) by isothermal titration calorimetry


J Med Chem 59: 2596-611 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01801
BindingDB Entry DOI: 10.7270/Q2474CR6
More data for this
Ligand-Target Pair