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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase D' and Ligand = 'BDBM50169545'   
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))
BDBM50169545
PNG
(CHEMBL3805631)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C25H28N8O3/c26-25-27-20(16-22-28-24(29-33(22)25)21-5-2-12-36-21)18-3-1-4-19(15-18)31-6-8-32(9-7-31)23(34)17-30-10-13-35-14-11-30/h1-5,12,15-16H,6-11,13-14,17H2,(H2,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.33E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant cyclophilin D by surface plasmon resonance analysis


ACS Med Chem Lett 7: 294-9 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00451
BindingDB Entry DOI: 10.7270/Q24T6M8F
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM50169545
PNG
(CHEMBL3805631)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C25H28N8O3/c26-25-27-20(16-22-28-24(29-33(22)25)21-5-2-12-36-21)18-3-1-4-19(15-18)31-6-8-32(9-7-31)23(34)17-30-10-13-35-14-11-30/h1-5,12,15-16H,6-11,13-14,17H2,(H2,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.49E+3n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cyclophilin D using Suc-AAPF-MCA as substrate preincubated for 1 hr followed by substrate addition measured per milli...


ACS Med Chem Lett 7: 294-9 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00451
BindingDB Entry DOI: 10.7270/Q24T6M8F
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM50169545
PNG
(CHEMBL3805631)
Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C25H28N8O3/c26-25-27-20(16-22-28-24(29-33(22)25)21-5-2-12-36-21)18-3-1-4-19(15-18)31-6-8-32(9-7-31)23(34)17-30-10-13-35-14-11-30/h1-5,12,15-16H,6-11,13-14,17H2,(H2,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 149n/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant cyclophilin D by surface plasmon resonance analysis


ACS Med Chem Lett 7: 294-9 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00451
BindingDB Entry DOI: 10.7270/Q24T6M8F
More data for this
Ligand-Target Pair