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Compile Data Set for Download or QSAR

Found 371 hits Enz. Inhib. hit(s) with Target = 'Cyclophilin A'   
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
Cyclophilin A


(Homo sapiens (Human))
BDBM50030494
PNG
(CHEMBL3344503)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)COCCN2CCOCC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C68H122N12O14/c1-25-27-28-44(13)57(81)56-61(85)71-49(26-2)64(88)73(18)48(17)63(87)78(23)55(45(14)38-94-34-31-80-29-32-93-33-30-80)60(84)72-53(42(9)10)67(91)74(19)50(35-39(3)4)59(83)69-46(15)58(82)70-47(16)62(86)75(20)51(36-40(5)6)65(89)76(21)52(37-41(7)8)66(90)77(22)54(43(11)12)68(92)79(56)24/h25,27,39-57,81H,26,28-38H2,1-24H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b27-25+/t44-,45-,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1
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n/an/an/a 1.10n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by surface plasmon resonance method


J Med Chem 57: 8503-16 (2014)


Article DOI: 10.1021/jm500862r
BindingDB Entry DOI: 10.7270/Q2HM5B1Z
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50030533
PNG
(CHEMBL3344502)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)CCN2CCOCC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C67H120N12O13/c1-25-27-28-44(14)56(80)55-60(84)70-48(26-2)63(87)72(18)47(17)62(86)77(23)54(43(13)29-30-79-31-33-92-34-32-79)59(83)71-52(41(9)10)66(90)73(19)49(35-38(3)4)58(82)68-45(15)57(81)69-46(16)61(85)74(20)50(36-39(5)6)64(88)75(21)51(37-40(7)8)65(89)76(22)53(42(11)12)67(91)78(55)24/h25,27,38-56,80H,26,28-37H2,1-24H3,(H,68,82)(H,69,81)(H,70,84)(H,71,83)/b27-25+/t43-,44-,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1
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n/an/an/a 1.10n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by surface plasmon resonance method


J Med Chem 57: 8503-16 (2014)


Article DOI: 10.1021/jm500862r
BindingDB Entry DOI: 10.7270/Q2HM5B1Z
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50030493
PNG
(CHEMBL3344501)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@@H](C)CN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C69H125N13O13/c1-26-28-29-45(13)58(83)57-62(87)72-50(27-2)65(90)74(18)49(17)64(89)79(23)56(46(14)39-82-32-30-81(31-33-82)34-35-95-25)61(86)73-54(43(9)10)68(93)75(19)51(36-40(3)4)60(85)70-47(15)59(84)71-48(16)63(88)76(20)52(37-41(5)6)66(91)77(21)53(38-42(7)8)67(92)78(22)55(44(11)12)69(94)80(57)24/h26,28,40-58,83H,27,29-39H2,1-25H3,(H,70,85)(H,71,84)(H,72,87)(H,73,86)/b28-26+/t45-,46+,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58-/m1/s1
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n/an/an/a 1.20n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by surface plasmon resonance method


J Med Chem 57: 8503-16 (2014)


Article DOI: 10.1021/jm500862r
BindingDB Entry DOI: 10.7270/Q2HM5B1Z
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50030555
PNG
(CHEMBL3344493)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)CC#N)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C63H110N12O12/c1-25-27-28-40(14)52(76)51-56(80)67-44(26-2)59(83)69(18)43(17)58(82)74(23)50(39(13)29-30-64)55(79)68-48(37(9)10)62(86)70(19)45(31-34(3)4)54(78)65-41(15)53(77)66-42(16)57(81)71(20)46(32-35(5)6)60(84)72(21)47(33-36(7)8)61(85)73(22)49(38(11)12)63(87)75(51)24/h25,27,34-52,76H,26,28-29,31-33H2,1-24H3,(H,65,78)(H,66,77)(H,67,80)(H,68,79)/b27-25+/t39-,40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1
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n/an/an/a 1.30n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by surface plasmon resonance method


J Med Chem 57: 8503-16 (2014)


Article DOI: 10.1021/jm500862r
BindingDB Entry DOI: 10.7270/Q2HM5B1Z
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50030535
PNG
(CHEMBL3344499)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)CN2CCC(CC2)C#N)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C68H119N13O12/c1-25-27-28-43(13)57(82)56-61(86)72-49(26-2)64(89)74(18)47(17)63(88)79(23)55(44(14)37-81-31-29-48(36-69)30-32-81)60(85)73-53(41(9)10)67(92)75(19)50(33-38(3)4)59(84)70-45(15)58(83)71-46(16)62(87)76(20)51(34-39(5)6)65(90)77(21)52(35-40(7)8)66(91)78(22)54(42(11)12)68(93)80(56)24/h25,27,38-57,82H,26,28-35,37H2,1-24H3,(H,70,84)(H,71,83)(H,72,86)(H,73,85)/b27-25+/t43-,44-,45+,46-,47-,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1
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n/an/an/a 1.40n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by surface plasmon resonance method


J Med Chem 57: 8503-16 (2014)


Article DOI: 10.1021/jm500862r
BindingDB Entry DOI: 10.7270/Q2HM5B1Z
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50030554
PNG
(CHEMBL3344494)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)COC)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C63H113N11O13/c1-26-28-29-39(13)52(75)51-56(79)66-44(27-2)59(82)68(18)43(17)58(81)73(23)50(40(14)33-87-25)55(78)67-48(37(9)10)62(85)69(19)45(30-34(3)4)54(77)64-41(15)53(76)65-42(16)57(80)70(20)46(31-35(5)6)60(83)71(21)47(32-36(7)8)61(84)72(22)49(38(11)12)63(86)74(51)24/h26,28,34-52,75H,27,29-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b28-26+/t39-,40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1
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n/an/an/a 1.70n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by surface plasmon resonance method


J Med Chem 57: 8503-16 (2014)


Article DOI: 10.1021/jm500862r
BindingDB Entry DOI: 10.7270/Q2HM5B1Z
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50030534
PNG
(CHEMBL3344500)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)CN(C)CCOC)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C66H120N12O13/c1-27-29-30-42(13)55(79)54-59(83)69-47(28-2)62(86)72(19)46(17)61(85)77(24)53(43(14)36-71(18)31-32-91-26)58(82)70-51(40(9)10)65(89)73(20)48(33-37(3)4)57(81)67-44(15)56(80)68-45(16)60(84)74(21)49(34-38(5)6)63(87)75(22)50(35-39(7)8)64(88)76(23)52(41(11)12)66(90)78(54)25/h27,29,37-55,79H,28,30-36H2,1-26H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b29-27+/t42-,43-,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55-/m1/s1
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n/an/an/a 1.80n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by surface plasmon resonance method


J Med Chem 57: 8503-16 (2014)


Article DOI: 10.1021/jm500862r
BindingDB Entry DOI: 10.7270/Q2HM5B1Z
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50030541
PNG
(CHEMBL3344496)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)CN2CCCOCC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C67H120N12O13/c1-25-27-29-43(13)56(80)55-60(84)70-48(26-2)63(87)72(18)47(17)62(86)77(23)54(44(14)37-79-30-28-32-92-33-31-79)59(83)71-52(41(9)10)66(90)73(19)49(34-38(3)4)58(82)68-45(15)57(81)69-46(16)61(85)74(20)50(35-39(5)6)64(88)75(21)51(36-40(7)8)65(89)76(22)53(42(11)12)67(91)78(55)24/h25,27,38-56,80H,26,28-37H2,1-24H3,(H,68,82)(H,69,81)(H,70,84)(H,71,83)/b27-25+/t43-,44-,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1
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n/an/an/a 1.90n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by surface plasmon resonance method


J Med Chem 57: 8503-16 (2014)


Article DOI: 10.1021/jm500862r
BindingDB Entry DOI: 10.7270/Q2HM5B1Z
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50339127
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-d...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1
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n/an/an/a 2.20n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by surface plasmon resonance method


J Med Chem 57: 8503-16 (2014)


Article DOI: 10.1021/jm500862r
BindingDB Entry DOI: 10.7270/Q2HM5B1Z
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50030536
PNG
(CHEMBL3344498)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)CN2CC3CCC(C2)O3)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C68H120N12O13/c1-25-27-28-42(13)57(81)56-61(85)71-49(26-2)64(88)73(18)46(17)63(87)78(23)55(43(14)34-80-35-47-29-30-48(36-80)93-47)60(84)72-53(40(9)10)67(91)74(19)50(31-37(3)4)59(83)69-44(15)58(82)70-45(16)62(86)75(20)51(32-38(5)6)65(89)76(21)52(33-39(7)8)66(90)77(22)54(41(11)12)68(92)79(56)24/h25,27,37-57,81H,26,28-36H2,1-24H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b27-25+/t42-,43-,44+,45-,46-,47?,48?,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1
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n/an/an/a 2.5n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by surface plasmon resonance method


J Med Chem 57: 8503-16 (2014)


Article DOI: 10.1021/jm500862r
BindingDB Entry DOI: 10.7270/Q2HM5B1Z
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50030542
PNG
(CHEMBL3344495)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)CN2CCOCC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C66H118N12O13/c1-25-27-28-42(13)55(79)54-59(83)69-47(26-2)62(86)71(18)46(17)61(85)76(23)53(43(14)36-78-29-31-91-32-30-78)58(82)70-51(40(9)10)65(89)72(19)48(33-37(3)4)57(81)67-44(15)56(80)68-45(16)60(84)73(20)49(34-38(5)6)63(87)74(21)50(35-39(7)8)64(88)75(22)52(41(11)12)66(90)77(54)24/h25,27,37-55,79H,26,28-36H2,1-24H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b27-25+/t42-,43-,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55-/m1/s1
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n/an/an/a 3.10n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by surface plasmon resonance method


J Med Chem 57: 8503-16 (2014)


Article DOI: 10.1021/jm500862r
BindingDB Entry DOI: 10.7270/Q2HM5B1Z
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50323721
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-(2-(...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C66H120N12O13S/c1-27-29-30-42(13)53(79)52-57(83)69-45(28-2)59(85)78(26)65(92-32-31-71(18)19)64(90)75(23)49(36-66(16,17)91)56(82)70-50(40(9)10)62(88)72(20)46(33-37(3)4)55(81)67-43(14)54(80)68-44(15)58(84)73(21)47(34-38(5)6)60(86)74(22)48(35-39(7)8)61(87)76(24)51(41(11)12)63(89)77(52)25/h27,29,37-53,65,79,91H,28,30-36H2,1-26H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b29-27+/t42-,43+,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,65+/m1/s1
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n/an/an/a 3.20n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by surface plasmon resonance method


J Med Chem 57: 8503-16 (2014)


Article DOI: 10.1021/jm500862r
BindingDB Entry DOI: 10.7270/Q2HM5B1Z
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50030538
PNG
(CHEMBL3344497)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)CN2CCC(F)(F)C2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C66H116F2N12O12/c1-25-27-28-41(13)54(81)53-58(85)71-46(26-2)61(88)73(18)45(17)60(87)78(23)52(42(14)34-80-30-29-66(67,68)35-80)57(84)72-50(39(9)10)64(91)74(19)47(31-36(3)4)56(83)69-43(15)55(82)70-44(16)59(86)75(20)48(32-37(5)6)62(89)76(21)49(33-38(7)8)63(90)77(22)51(40(11)12)65(92)79(53)24/h25,27,36-54,81H,26,28-35H2,1-24H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b27-25+/t41-,42-,43+,44-,45-,46+,47+,48+,49+,50+,51+,52+,53+,54-/m1/s1
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n/an/an/a 4n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by surface plasmon resonance method


J Med Chem 57: 8503-16 (2014)


Article DOI: 10.1021/jm500862r
BindingDB Entry DOI: 10.7270/Q2HM5B1Z
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50339126
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-24-sec-buty...)
Show SMILES CC[C@H](C)[C@@H]1N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-28-29-40(15)52(75)51-56(79)65-43(27-3)58(81)67(18)33-47(74)71(22)50(39(14)26-2)55(78)66-48(37(10)11)61(84)68(19)44(30-34(4)5)54(77)63-41(16)53(76)64-42(17)57(80)69(20)45(31-35(6)7)59(82)70(21)46(32-36(8)9)60(83)72(23)49(38(12)13)62(85)73(51)24/h25,28,34-46,48-52,75H,26-27,29-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b28-25+/t39-,40+,41-,42+,43-,44-,45-,46-,48-,49-,50-,51-,52+/m0/s1
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n/an/an/a 7.5n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by surface plasmon resonance method


J Med Chem 57: 8503-16 (2014)


Article DOI: 10.1021/jm500862r
BindingDB Entry DOI: 10.7270/Q2HM5B1Z
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/an/a 7.60n/an/an/an/an/a



Max Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant cyclophilin-A by isothermal titration calorimetry assay


Eur J Med Chem 46: 5556-61 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.019
BindingDB Entry DOI: 10.7270/Q2N87B59
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50205335
PNG
(CHEMBL3905487)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=S)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O11S/c1-25-27-28-40(15)52(75)51-55(78)65-43(26-2)58(80)67(18)33-48(74)68(19)44(29-34(3)4)54(77)66-49(38(11)12)61(83)69(20)45(30-35(5)6)53(76)63-41(16)56(85)64-42(17)57(79)70(21)46(31-36(7)8)59(81)71(22)47(32-37(9)10)60(82)72(23)50(39(13)14)62(84)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,76)(H,64,85)(H,65,78)(H,66,77)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/an/a 8.20n/an/an/an/an/a



Technical University Dresden

Curated by ChEMBL


Assay Description
Binding affinity to Cyp18 (unknown origin) by fluorescence assay


Bioorg Med Chem Lett 26: 5754-5756 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.050
BindingDB Entry DOI: 10.7270/Q2T43W27
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/an/a 9n/an/an/an/an/a



Max Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin 18 assessed as reduction in calcineurin activity


Nat Chem Biol 5: 724-6 (2009)


Article DOI: 10.1038/nchembio.214
BindingDB Entry DOI: 10.7270/Q27D2VBH
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/an/a 10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive binding affinity to biotinylated human recombinant T cell cyclophilin A expressed in Escherichia coli by spectrophotometric analysis


ACS Med Chem Lett 2: 485-487 (2011)


Article DOI: 10.1021/ml200039u
BindingDB Entry DOI: 10.7270/Q2K35VVC
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/an/a 10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by fluorescence polarization assay


ACS Med Chem Lett 2: 485-487 (2011)


Article DOI: 10.1021/ml200039u
BindingDB Entry DOI: 10.7270/Q2K35VVC
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/an/a 10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin A by surface plasmon resonance analysis


ACS Med Chem Lett 2: 485-487 (2011)


Article DOI: 10.1021/ml200039u
BindingDB Entry DOI: 10.7270/Q2K35VVC
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/an/a 10n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay


Bioorg Med Chem Lett 26: 5304-5307 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.039
BindingDB Entry DOI: 10.7270/Q2TX3HCN
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50339127
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-d...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C1=O)C(C)C
Show InChI InChI=1S/C63H113N11O12/c1-26-29-30-40(16)52(75)51-56(79)66-44(27-2)59(82)68(20)43(19)58(81)74(28-3)49(38(12)13)55(78)67-48(37(10)11)62(85)69(21)45(31-34(4)5)54(77)64-41(17)53(76)65-42(18)57(80)70(22)46(32-35(6)7)60(83)71(23)47(33-36(8)9)61(84)72(24)50(39(14)15)63(86)73(51)25/h26,29,34-52,75H,27-28,30-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b29-26+/t40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1
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n/an/an/a 11n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by fluorescence polarization assay


ACS Med Chem Lett 2: 485-487 (2011)


Article DOI: 10.1021/ml200039u
BindingDB Entry DOI: 10.7270/Q2K35VVC
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50403020
PNG
(CHEMBL2216758)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(CC)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-28-29-40(16)52(75)51-56(79)65-43(26-2)58(81)67(19)33-47(74)68(20)44(30-34(4)5)55(78)66-48(37(10)11)60(83)69(21)45(31-35(6)7)54(77)63-41(17)53(76)64-42(18)57(80)70(22)46(32-36(8)9)59(82)73(27-3)50(39(14)15)62(85)71(23)49(38(12)13)61(84)72(51)24/h25,28,34-46,48-52,75H,26-27,29-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b28-25+/t40-,41+,42-,43+,44+,45+,46+,48+,49+,50+,51+,52-/m1/s1
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n/an/an/a 11n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by fluorescence polarization assay


ACS Med Chem Lett 2: 485-487 (2011)


Article DOI: 10.1021/ml200039u
BindingDB Entry DOI: 10.7270/Q2K35VVC
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50403021
PNG
(CHEMBL2216757)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C61H109N11O12/c1-25-27-28-39(15)51(74)50-55(78)64-42(26-2)57(80)66(18)32-46(73)67(19)43(29-33(3)4)54(77)65-47(36(9)10)59(82)68(20)44(30-34(5)6)53(76)62-40(16)52(75)63-41(17)56(79)69(21)45(31-35(7)8)58(81)70(22)48(37(11)12)60(83)71(23)49(38(13)14)61(84)72(50)24/h25,27,33-45,47-51,74H,26,28-32H2,1-24H3,(H,62,76)(H,63,75)(H,64,78)(H,65,77)/b27-25+/t39-,40+,41-,42+,43+,44+,45+,47+,48+,49+,50+,51-/m1/s1
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n/an/an/a 11n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human cyclophilin A by fluorescence polarization assay


ACS Med Chem Lett 2: 485-487 (2011)


Article DOI: 10.1021/ml200039u
BindingDB Entry DOI: 10.7270/Q2K35VVC
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50339005
PNG
(5-(4-((4R,5R,E)-5-((2S,5S,11S,14S,17S,20S,23R,26S,...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\c2ccc(CNC(=O)c3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C89H126N12O18/c1-24-65-84(112)95(17)46-72(104)96(18)66(38-47(2)3)81(109)94-74(51(10)11)87(115)97(19)67(39-48(4)5)80(108)91-54(15)78(106)92-55(16)83(111)98(20)68(40-49(6)7)85(113)99(21)69(41-50(8)9)86(114)100(22)75(52(12)13)88(116)101(23)76(82(110)93-65)77(105)53(14)26-25-27-56-28-30-57(31-29-56)45-90-79(107)58-32-35-61(64(42-58)89(117)118)73-62-36-33-59(102)43-70(62)119-71-44-60(103)34-37-63(71)73/h25,27-37,42-44,47-55,65-69,74-77,102,105H,24,26,38-41,45-46H2,1-23H3,(H,90,107)(H,91,108)(H,92,106)(H,93,110)(H,94,109)(H,117,118)/b27-25+/t53-,54+,55-,65+,66+,67+,68+,69+,74+,75+,76+,77-/m1/s1
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n/an/an/a 12n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cyclosporin binding to Cyp18 by flourescence polarization competition assay


ACS Med Chem Lett 1: 536-539 (2010)


Article DOI: 10.1021/ml1001272
BindingDB Entry DOI: 10.7270/Q26110M8
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/an/a 36.8n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human Cyclophilin A


Bioorg Med Chem Lett 18: 3995-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.006
BindingDB Entry DOI: 10.7270/Q2D50NV4
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50044551
PNG
(CHEMBL3327189)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N(CC=C(C)C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C1=O
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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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
Cyclophilin A


(Homo sapiens (Human))
BDBM93256
PNG
(CypA Inhibitor, 2a)
Show SMILES CC(C)CCOC(=O)Nc1cc(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H24N2O2/c1-17(2)13-14-29-25(28)27-24-16-23(26-22-10-6-5-9-21(22)24)20-12-11-18-7-3-4-8-19(18)15-20/h3-12,15-17H,13-14H2,1-2H3,(H,26,27,28)
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n/an/an/a 76.2n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM93253
PNG
(CypA Inhibitor, 1c)
Show SMILES C(N1CCCCC1)c1cc(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H24N2/c1-6-14-27(15-7-1)18-22-17-25(26-24-11-5-4-10-23(22)24)21-13-12-19-8-2-3-9-20(19)16-21/h2-5,8-13,16-17H,1,6-7,14-15,18H2
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n/an/an/a 212n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/an/a 300n/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Binding affinity towards cyclophilin A by fluorescence


J Med Chem 44: 2593-600 (2001)


Article DOI: 10.1021/jm010009r
BindingDB Entry DOI: 10.7270/Q2PV6M22
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50102559
PNG
(6-Acetylamino-6-naphthalen-2-ylmethyl-5-oxo-hexahy...)
Show SMILES COC(=O)[C@]12CCCN1C(=O)[C@@](Cc1ccc3ccccc3c1)(CC2)NC(C)=O
Show InChI InChI=1S/C23H26N2O4/c1-16(26)24-22(15-17-8-9-18-6-3-4-7-19(18)14-17)11-12-23(21(28)29-2)10-5-13-25(23)20(22)27/h3-4,6-9,14H,5,10-13,15H2,1-2H3,(H,24,26)/t22-,23+/m0/s1
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n/an/an/a 1.50E+3n/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Binding affinity towards cyclophilin A by fluorescence


J Med Chem 44: 2593-600 (2001)


Article DOI: 10.1021/jm010009r
BindingDB Entry DOI: 10.7270/Q2PV6M22
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM93252
PNG
(CypA Inhibitor, 1b)
Show SMILES CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C34H33N3O/c1-34(2,3)36-33(38)32-20-25-12-6-7-13-27(25)21-37(32)22-28-19-31(35-30-15-9-8-14-29(28)30)26-17-16-23-10-4-5-11-24(23)18-26/h4-19,32H,20-22H2,1-3H3,(H,36,38)/t32-/m0/s1
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n/an/an/a 3.07E+3n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM93255
PNG
(CypA Inhibitor, 1e)
Show SMILES CCN(CC)C(=O)CNCc1cc(nc2ccccc12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C26H27N3O/c1-3-29(4-2)26(30)18-27-17-22-16-25(28-24-12-8-7-11-23(22)24)21-14-13-19-9-5-6-10-20(19)15-21/h5-16,27H,3-4,17-18H2,1-2H3
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n/an/an/a 3.41E+3n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50342826
PNG
(CHEMBL1770807 | Trp-Gly-Pro)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H22N4O4/c19-13(8-11-9-20-14-5-2-1-4-12(11)14)17(24)21-10-16(23)22-7-3-6-15(22)18(25)26/h1-2,4-5,9,13,15,20H,3,6-8,10,19H2,(H,21,24)(H,25,26)/t13-,15-/m0/s1
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n/an/an/a 3.41E+3n/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Binding affinity to Cyclophilin A


Eur J Med Chem 46: 1701-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.023
BindingDB Entry DOI: 10.7270/Q2BC40J6
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50102555
PNG
(6-Benzyloxycarbonylamino-6-naphthalen-2-ylmethyl-5...)
Show SMILES COC(=O)[C@]12CCCN1C(=O)[C@@](Cc1ccc3ccccc3c1)(CC2)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C29H30N2O5/c1-35-26(33)29-14-7-17-31(29)25(32)28(15-16-29,30-27(34)36-20-21-8-3-2-4-9-21)19-22-12-13-23-10-5-6-11-24(23)18-22/h2-6,8-13,18H,7,14-17,19-20H2,1H3,(H,30,34)/t28-,29+/m0/s1
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n/an/an/a 4.70E+3n/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Binding affinity towards cyclophilin A by fluorescence


J Med Chem 44: 2593-600 (2001)


Article DOI: 10.1021/jm010009r
BindingDB Entry DOI: 10.7270/Q2PV6M22
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50198907
PNG
(CHEMBL3974549)
Show SMILES Cl.C[C@]1(COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O)NCC1CCCCCCC1
Show InChI InChI=1S/C27H46N4O7.ClH/c1-27(29-16-20-10-5-3-2-4-6-11-20)19-38-15-8-7-14-37-18-21(25(34)35)30-24(33)22-12-9-13-31(22)23(32)17-28-26(27)36;/h20-22,29H,2-19H2,1H3,(H,28,36)(H,30,33)(H,34,35);1H/t21-,22-,27+;/m0./s1
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n/an/an/a 5.40E+3n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay


Bioorg Med Chem Lett 26: 5304-5307 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.039
BindingDB Entry DOI: 10.7270/Q2TX3HCN
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/an/a 6.42E+3n/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Binding affinity to Cyclophilin A


Eur J Med Chem 46: 1701-5 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.023
BindingDB Entry DOI: 10.7270/Q2BC40J6
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM93258
PNG
(CypA Inhibitor, 3a)
Show SMILES COC(=O)c1cc(ccc1NCc1ccccc1)C(=O)Nc1cc(nc2ccccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C31H24ClN3O3/c1-38-31(37)25-17-22(14-15-26(25)33-19-20-8-3-2-4-9-20)30(36)35-29-18-28(21-10-7-11-23(32)16-21)34-27-13-6-5-12-24(27)29/h2-18,33H,19H2,1H3,(H,34,35,36)
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n/an/an/a 8.18E+3n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM93260
PNG
(CypA Inhibitor, 4a)
Show SMILES COC(=O)c1cc(NC(=O)c2ccc3nc(-c4ccco4)c(nc3c2)-c2ccco2)ccc1NCc1ccccc1
Show InChI InChI=1S/C32H24N4O5/c1-39-32(38)23-18-22(12-14-24(23)33-19-20-7-3-2-4-8-20)34-31(37)21-11-13-25-26(17-21)36-30(28-10-6-16-41-28)29(35-25)27-9-5-15-40-27/h2-18,33H,19H2,1H3,(H,34,37)
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n/an/a 250 8.19E+3n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50198902
PNG
(CHEMBL3912651)
Show SMILES Cl.C[C@]1(COCCCCOC[C@H](NC(=O)[C@@H]2CCCN2C(=O)CNC1=O)C(O)=O)NCCc1ccccc1
Show InChI InChI=1S/C26H38N4O7.ClH/c1-26(28-12-11-19-8-3-2-4-9-19)18-37-15-6-5-14-36-17-20(24(33)34)29-23(32)21-10-7-13-30(21)22(31)16-27-25(26)35;/h2-4,8-9,20-21,28H,5-7,10-18H2,1H3,(H,27,35)(H,29,32)(H,33,34);1H/t20-,21-,26+;/m0./s1
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n/an/an/a 1.05E+4n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of fluorescent cyclosporin A binding to human CypA by TR-FRET assay


Bioorg Med Chem Lett 26: 5304-5307 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.039
BindingDB Entry DOI: 10.7270/Q2TX3HCN
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM93259
PNG
(CypA Inhibitor, 3b)
Show SMILES COC(=O)c1cc(ccc1NCc1ccccc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C27H26N4O6S/c1-17-18(2)30-37-26(17)31-38(34,35)22-12-10-21(11-13-22)29-25(32)20-9-14-24(23(15-20)27(33)36-3)28-16-19-7-5-4-6-8-19/h4-15,28,31H,16H2,1-3H3,(H,29,32)
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n/an/an/a 1.08E+4n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM85116
PNG
(Cyclophilin Inhibitor, 15 | Cyclophilin Inhibitor,...)
Show SMILES COC(=O)[C@H](CCCCN)C1C(=O)CC2C1=CC(=O)CC2(C)C
Show InChI InChI=1S/C18H27NO4/c1-18(2)10-11(20)8-13-14(18)9-15(21)16(13)12(17(22)23-3)6-4-5-7-19/h8,12,14,16H,4-7,9-10,19H2,1-3H3/t12-,14?,16?/m1/s1
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n/an/an/a 1.59E+4n/an/an/an/an/a



The University of Edinburgh



Assay Description
The promising ligand from the results obtained from ESI-MS assay are subjected to fluorescence in vitro assay. The fluorescence assay takes advantag...


Chembiochem 12: 802-10 (2011)


Article DOI: 10.1002/cbic.201000413
BindingDB Entry DOI: 10.7270/Q28K77MK
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM50102558
PNG
(6-tert-Butoxycarbonylamino-6-naphthalen-2-ylmethyl...)
Show SMILES COC(=O)[C@]12CCCN1C(=O)[C@@](Cc1ccc3ccccc3c1)(CC2)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C26H32N2O5/c1-24(2,3)33-23(31)27-25(17-18-10-11-19-8-5-6-9-20(19)16-18)13-14-26(22(30)32-4)12-7-15-28(26)21(25)29/h5-6,8-11,16H,7,12-15,17H2,1-4H3,(H,27,31)/t25-,26+/m0/s1
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n/an/an/a 1.70E+4n/an/an/an/an/a



Southern Methodist University

Curated by ChEMBL


Assay Description
Binding affinity towards cyclophilin A by fluorescence


J Med Chem 44: 2593-600 (2001)


Article DOI: 10.1021/jm010009r
BindingDB Entry DOI: 10.7270/Q2PV6M22
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM93254
PNG
(CypA Inhibitor, 1d)
Show SMILES CCOC(=O)[C@@H]1CCCN(Cc2cc(nc3ccccc23)-c2ccc3ccccc3c2)C1
Show InChI InChI=1S/C28H28N2O2/c1-2-32-28(31)23-10-7-15-30(18-23)19-24-17-27(29-26-12-6-5-11-25(24)26)22-14-13-20-8-3-4-9-21(20)16-22/h3-6,8-9,11-14,16-17,23H,2,7,10,15,18-19H2,1H3/t23-/m1/s1
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n/an/an/a 1.72E+4n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM85119
PNG
(Cyclophilin Inhibitor, 3e)
Show SMILES COC(=O)[C@H](CCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C)C1C(=O)CC2C1=CC(=O)CC2(C)C
Show InChI InChI=1S/C30H38N2O6S/c1-30(2)18-19(33)16-23-24(30)17-26(34)28(23)22(29(35)38-5)10-6-7-15-31-39(36,37)27-14-9-11-20-21(27)12-8-13-25(20)32(3)4/h8-9,11-14,16,22,24,28,31H,6-7,10,15,17-18H2,1-5H3/t22-,24?,28?/m1/s1
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n/an/an/a 2.19E+4n/an/an/an/an/a



The University of Edinburgh



Assay Description
The promising ligand from the results obtained from ESI-MS assay are subjected to fluorescence in vitro assay. The fluorescence assay takes advantag...


Chembiochem 12: 802-10 (2011)


Article DOI: 10.1002/cbic.201000413
BindingDB Entry DOI: 10.7270/Q28K77MK
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM85115
PNG
(Cyclophilin Inhibitor, 3a)
Show SMILES COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)C1C(=O)CC2C1=CC(=O)CC2(C)C
Show InChI InChI=1S/C26H33NO6/c1-26(2)15-18(28)13-20-21(26)14-22(29)23(20)19(24(30)32-3)11-7-8-12-27-25(31)33-16-17-9-5-4-6-10-17/h4-6,9-10,13,19,21,23H,7-8,11-12,14-16H2,1-3H3,(H,27,31)/t19-,21?,23?/m1/s1
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n/an/an/a 2.28E+4n/an/an/an/an/a



The University of Edinburgh



Assay Description
The promising ligand from the results obtained from ESI-MS assay are subjected to fluorescence in vitro assay. The fluorescence assay takes advantag...


Chembiochem 12: 802-10 (2011)


Article DOI: 10.1002/cbic.201000413
BindingDB Entry DOI: 10.7270/Q28K77MK
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM93265
PNG
(CypA Inhibitor, 4f)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C27H18N6O5S/c34-26(30-18-7-9-19(10-8-18)39(35,36)33-27-28-12-3-13-29-27)17-6-11-20-21(16-17)32-25(23-5-2-15-38-23)24(31-20)22-4-1-14-37-22/h1-16H,(H,30,34)(H,28,29,33)
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n/an/a 960 2.28E+4n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM93251
PNG
(CypA Inhibitor, 1a)
Show SMILES CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(nc2ccccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H30ClN3O/c1-30(2,3)33-29(35)28-17-20-9-4-5-10-22(20)18-34(28)19-23-16-27(21-11-8-12-24(31)15-21)32-26-14-7-6-13-25(23)26/h4-16,28H,17-19H2,1-3H3,(H,33,35)/t28-/m0/s1
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n/an/an/a 2.43E+4n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM93261
PNG
(CypA Inhibitor, 4b)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc(-c5ccco5)c(nc4c3)-c3ccco3)cc2)c1C
Show InChI InChI=1S/C28H21N5O6S/c1-16-17(2)32-39-28(16)33-40(35,36)20-10-8-19(9-11-20)29-27(34)18-7-12-21-22(15-18)31-26(24-6-4-14-38-24)25(30-21)23-5-3-13-37-23/h3-15,33H,1-2H3,(H,29,34)
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n/an/an/a 2.73E+4n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
Cyclophilin A


(Homo sapiens (Human))
BDBM93257
PNG
(CypA Inhibitor, 2b)
Show SMILES CCOC(=O)[C@H]1CCCN(C1)C(=O)Nc1cc(nc2ccccc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H24ClN3O3/c1-2-31-23(29)17-8-6-12-28(15-17)24(30)27-22-14-21(16-7-5-9-18(25)13-16)26-20-11-4-3-10-19(20)22/h3-5,7,9-11,13-14,17H,2,6,8,12,15H2,1H3,(H,26,27,30)/t17-/m0/s1
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n/an/an/a 2.88E+4n/an/an/a7.425



East China Univesity of Science and Technology



Assay Description
CypA in vitro were determined by employing surface plasmon resonance (SPR) technology.


J Comb Chem 8: 326-37


Article DOI: 10.1021/cc0501561
BindingDB Entry DOI: 10.7270/Q2C24V11
More data for this
Ligand-Target Pair
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