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PubMed code 24831536

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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 F, mitochondrial


(Homo sapiens (Human))
BDBM50044551
PNG
(CHEMBL3327189)
Show SMILES [H][C@@]1([#6@H](-[#8])-[#6@H](-[#6])-[#6]\[#6]=[#6]\[#6])[#7](-[#6])-[#6](=O)-[#6@H](-[#6](-[#6])-[#6])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6](-[#6])-[#6])-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6]1=O |r|
Show InChI InChI=1S/C68H121N11O12/c1-28-30-31-45(17)57(80)56-60(83)71-49(29-2)63(86)72(21)48(20)62(85)75(24)53(37-42(11)12)66(89)79(33-32-38(3)4)55(44(15)16)68(91)73(22)50(34-39(5)6)59(82)69-46(18)58(81)70-47(19)61(84)74(23)51(35-40(7)8)64(87)76(25)52(36-41(9)10)65(88)77(26)54(43(13)14)67(90)78(56)27/h28,30,32,39-57,80H,29,31,33-37H2,1-27H3,(H,69,82)(H,70,81)(H,71,83)/b30-28+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1
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Article
PubMed
n/an/an/a<60n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin D (unknown origin)


J Med Chem 57: 7145-59 (2014)


Article DOI: 10.1021/jm500223x
BindingDB Entry DOI: 10.7270/Q25T3N47
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))
BDBM50044551
PNG
(CHEMBL3327189)
Show SMILES [H][C@@]1([#6@H](-[#8])-[#6@H](-[#6])-[#6]\[#6]=[#6]\[#6])[#7](-[#6])-[#6](=O)-[#6@H](-[#6](-[#6])-[#6])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6](-[#6])-[#6])-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6])-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-[#6])-[#7]-[#6]1=O |r|
Show InChI InChI=1S/C68H121N11O12/c1-28-30-31-45(17)57(80)56-60(83)71-49(29-2)63(86)72(21)48(20)62(85)75(24)53(37-42(11)12)66(89)79(33-32-38(3)4)55(44(15)16)68(91)73(22)50(34-39(5)6)59(82)69-46(18)58(81)70-47(19)61(84)74(23)51(35-40(7)8)64(87)76(25)52(36-41(9)10)65(88)77(26)54(43(13)14)67(90)78(56)27/h28,30,32,39-57,80H,29,31,33-37H2,1-27H3,(H,69,82)(H,70,81)(H,71,83)/b30-28+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1
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UniProtKB/SwissProt

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GoogleScholar
AffyNet 
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PC cid
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UniChem

Similars

Article
PubMed
n/an/an/a<60n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin A (unknown origin)


J Med Chem 57: 7145-59 (2014)


Article DOI: 10.1021/jm500223x
BindingDB Entry DOI: 10.7270/Q25T3N47
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%