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Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'schiene-fischer' and Initial = 'c'   
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


(Homo sapiens (Human))		BDBM50440293
PNG
(CHEMBL2424822)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(cc3[nH]2)C(O)=O)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 |r|
Show InChI InChI=1S/C67H111N13O14/c1-24-44-62(88)74(17)33-52(81)75(18)47(27-34(2)3)59(85)73-53(38(10)11)65(91)76(19)48(28-35(4)5)58(84)68-41(15)57(83)69-42(16)61(87)77(20)49(29-36(6)7)63(89)78(21)50(30-37(8)9)64(90)79(22)54(39(12)13)66(92)80(23)55(60(86)72-44)56(82)40(14)31-51-70-45-26-25-43(67(93)94)32-46(45)71-51/h25-26,32,34-42,44,47-50,53-56,82H,24,27-31,33H2,1-23H3,(H,68,84)(H,69,83)(H,70,71)(H,72,86)(H,73,85)(H,93,94)/t40-,41+,42-,44+,47+,48+,49+,50+,53+,54+,55+,56-/m1/s1
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 11n/an/an/an/an/an/an/an/a



Max-Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate

J Med Chem 56: 7302-11 (2013)


Article DOI: 10.1021/jm4007577
BindingDB Entry DOI: 10.7270/Q2NK3GGK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase 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 |r|
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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 12n/an/an/an/an/an/an/an/a



Max-Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate

J Med Chem 56: 7302-11 (2013)


Article DOI: 10.1021/jm4007577
BindingDB Entry DOI: 10.7270/Q2NK3GGK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM50440297
PNG
(CHEMBL2424817)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(cc3[nH]2)C(=O)OC)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 |r|
Show InChI InChI=1S/C68H113N13O14/c1-25-45-63(89)75(17)34-53(82)76(18)48(28-35(2)3)60(86)74-54(39(10)11)66(92)77(19)49(29-36(4)5)59(85)69-42(15)58(84)70-43(16)62(88)78(20)50(30-37(6)7)64(90)79(21)51(31-38(8)9)65(91)80(22)55(40(12)13)67(93)81(23)56(61(87)73-45)57(83)41(14)32-52-71-46-27-26-44(68(94)95-24)33-47(46)72-52/h26-27,33,35-43,45,48-51,54-57,83H,25,28-32,34H2,1-24H3,(H,69,85)(H,70,84)(H,71,72)(H,73,87)(H,74,86)/t41-,42+,43-,45+,48+,49+,50+,51+,54+,55+,56+,57-/m1/s1
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 12n/an/an/an/an/an/an/an/a



Max-Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate

J Med Chem 56: 7302-11 (2013)


Article DOI: 10.1021/jm4007577
BindingDB Entry DOI: 10.7270/Q2NK3GGK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM50440299
PNG
(CHEMBL2424823)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(C)cc3[nH]2)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 |r|
Show InChI InChI=1S/C67H113N13O12/c1-25-45-63(88)74(18)34-53(81)75(19)48(28-35(2)3)60(85)73-54(39(10)11)66(91)76(20)49(29-36(4)5)59(84)68-43(16)58(83)69-44(17)62(87)77(21)50(30-37(6)7)64(89)78(22)51(31-38(8)9)65(90)79(23)55(40(12)13)67(92)80(24)56(61(86)72-45)57(82)42(15)33-52-70-46-27-26-41(14)32-47(46)71-52/h26-27,32,35-40,42-45,48-51,54-57,82H,25,28-31,33-34H2,1-24H3,(H,68,84)(H,69,83)(H,70,71)(H,72,86)(H,73,85)/t42-,43+,44-,45+,48+,49+,50+,51+,54+,55+,56+,57-/m1/s1
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 12n/an/an/an/an/an/an/an/a



Max-Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate

J Med Chem 56: 7302-11 (2013)


Article DOI: 10.1021/jm4007577
BindingDB Entry DOI: 10.7270/Q2NK3GGK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM50440300
PNG
(CHEMBL2424821)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccccc3[nH]2)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 |r|
Show InChI InChI=1S/C66H111N13O12/c1-24-44-62(87)73(17)34-52(80)74(18)47(29-35(2)3)59(84)72-53(39(10)11)65(90)75(19)48(30-36(4)5)58(83)67-42(15)57(82)68-43(16)61(86)76(20)49(31-37(6)7)63(88)77(21)50(32-38(8)9)64(89)78(22)54(40(12)13)66(91)79(23)55(60(85)71-44)56(81)41(14)33-51-69-45-27-25-26-28-46(45)70-51/h25-28,35-44,47-50,53-56,81H,24,29-34H2,1-23H3,(H,67,83)(H,68,82)(H,69,70)(H,71,85)(H,72,84)/t41-,42+,43-,44+,47+,48+,49+,50+,53+,54+,55+,56-/m1/s1
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 23n/an/an/an/an/an/an/an/a



Max-Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate

J Med Chem 56: 7302-11 (2013)


Article DOI: 10.1021/jm4007577
BindingDB Entry DOI: 10.7270/Q2NK3GGK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B


(Homo sapiens (Human))		BDBM50440293
PNG
(CHEMBL2424822)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(cc3[nH]2)C(O)=O)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 |r|
Show InChI InChI=1S/C67H111N13O14/c1-24-44-62(88)74(17)33-52(81)75(18)47(27-34(2)3)59(85)73-53(38(10)11)65(91)76(19)48(28-35(4)5)58(84)68-41(15)57(83)69-42(16)61(87)77(20)49(29-36(6)7)63(89)78(21)50(30-37(8)9)64(90)79(22)54(39(12)13)66(92)80(23)55(60(86)72-44)56(82)40(14)31-51-70-45-26-25-43(67(93)94)32-46(45)71-51/h25-26,32,34-42,44,47-50,53-56,82H,24,27-31,33H2,1-23H3,(H,68,84)(H,69,83)(H,70,71)(H,72,86)(H,73,85)(H,93,94)/t40-,41+,42-,44+,47+,48+,49+,50+,53+,54+,55+,56-/m1/s1
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 35n/an/an/an/an/an/an/an/a



Max-Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of CypB PPIase activity (unknown origin)

J Med Chem 56: 7302-11 (2013)


Article DOI: 10.1021/jm4007577
BindingDB Entry DOI: 10.7270/Q2NK3GGK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM50440296
PNG
(CHEMBL2424818)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccccc3s2)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 |r|
Show InChI InChI=1S/C66H110N12O12S/c1-24-44-62(86)72(17)34-52(79)73(18)46(29-35(2)3)59(83)71-53(39(10)11)65(89)74(19)47(30-36(4)5)58(82)67-42(15)57(81)68-43(16)61(85)75(20)48(31-37(6)7)63(87)76(21)49(32-38(8)9)64(88)77(22)54(40(12)13)66(90)78(23)55(60(84)70-44)56(80)41(14)33-51-69-45-27-25-26-28-50(45)91-51/h25-28,35-44,46-49,53-56,80H,24,29-34H2,1-23H3,(H,67,82)(H,68,81)(H,70,84)(H,71,83)/t41-,42+,43-,44+,46+,47+,48+,49+,53+,54+,55+,56-/m1/s1
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 37n/an/an/an/an/an/an/an/a



Max-Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate

J Med Chem 56: 7302-11 (2013)


Article DOI: 10.1021/jm4007577
BindingDB Entry DOI: 10.7270/Q2NK3GGK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM50440298
PNG
(CHEMBL2424824)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(cc3[nH]2)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 |r|
Show InChI InChI=1S/C69H117N13O12/c1-26-47-65(90)76(19)35-55(83)77(20)50(29-36(2)3)62(87)75-56(41(12)13)68(93)78(21)51(30-37(4)5)61(86)70-44(17)60(85)71-45(18)64(89)79(22)52(31-38(6)7)66(91)80(23)53(32-39(8)9)67(92)81(24)57(42(14)15)69(94)82(25)58(63(88)74-47)59(84)43(16)33-54-72-48-28-27-46(40(10)11)34-49(48)73-54/h27-28,34,36-45,47,50-53,56-59,84H,26,29-33,35H2,1-25H3,(H,70,86)(H,71,85)(H,72,73)(H,74,88)(H,75,87)/t43-,44+,45-,47+,50+,51+,52+,53+,56+,57+,58+,59-/m1/s1
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 44n/an/an/an/an/an/an/an/a



Max-Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate

J Med Chem 56: 7302-11 (2013)


Article DOI: 10.1021/jm4007577
BindingDB Entry DOI: 10.7270/Q2NK3GGK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM50440294
PNG
(CHEMBL2424820)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CC2=Nc3ccccc3CN2)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 |r,t:12|
Show InChI InChI=1S/C67H113N13O12/c1-24-46-63(88)74(17)35-53(81)75(18)48(29-36(2)3)60(85)73-54(40(10)11)66(91)76(19)49(30-37(4)5)59(84)69-43(15)58(83)70-44(16)62(87)77(20)50(31-38(6)7)64(89)78(21)51(32-39(8)9)65(90)79(22)55(41(12)13)67(92)80(23)56(61(86)72-46)57(82)42(14)33-52-68-34-45-27-25-26-28-47(45)71-52/h25-28,36-44,46,48-51,54-57,82H,24,29-35H2,1-23H3,(H,68,71)(H,69,84)(H,70,83)(H,72,86)(H,73,85)/t42-,43+,44-,46+,48+,49+,50+,51+,54+,55+,56+,57-/m1/s1
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 58n/an/an/an/an/an/an/an/a



Max-Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate

J Med Chem 56: 7302-11 (2013)


Article DOI: 10.1021/jm4007577
BindingDB Entry DOI: 10.7270/Q2NK3GGK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM50440295
PNG
(CHEMBL2424819)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccccc3c(=O)[nH]2)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 |r|
Show InChI InChI=1S/C67H111N13O13/c1-24-45-63(89)74(17)34-52(81)75(18)47(29-35(2)3)60(86)73-53(39(10)11)66(92)76(19)48(30-36(4)5)59(85)68-42(15)57(83)69-43(16)62(88)77(20)49(31-37(6)7)64(90)78(21)50(32-38(8)9)65(91)79(22)54(40(12)13)67(93)80(23)55(61(87)71-45)56(82)41(14)33-51-70-46-28-26-25-27-44(46)58(84)72-51/h25-28,35-43,45,47-50,53-56,82H,24,29-34H2,1-23H3,(H,68,85)(H,69,83)(H,71,87)(H,73,86)(H,70,72,84)/t41-,42+,43-,45+,47+,48+,49+,50+,53+,54+,55+,56-/m1/s1
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 65n/an/an/an/an/an/an/an/a



Max-Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of CypA PPIase activity (unknown origin) using Glt-(Ala)n-Pro-Phe-4-nitroanilides as substrate

J Med Chem 56: 7302-11 (2013)


Article DOI: 10.1021/jm4007577
BindingDB Entry DOI: 10.7270/Q2NK3GGK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase C


(Homo sapiens (Human))		BDBM50440293
PNG
(CHEMBL2424822)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)Cc2nc3ccc(cc3[nH]2)C(O)=O)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 |r|
Show InChI InChI=1S/C67H111N13O14/c1-24-44-62(88)74(17)33-52(81)75(18)47(27-34(2)3)59(85)73-53(38(10)11)65(91)76(19)48(28-35(4)5)58(84)68-41(15)57(83)69-42(16)61(87)77(20)49(29-36(6)7)63(89)78(21)50(30-37(8)9)64(90)79(22)54(39(12)13)66(92)80(23)55(60(86)72-44)56(82)40(14)31-51-70-45-26-25-43(67(93)94)32-46(45)71-51/h25-26,32,34-42,44,47-50,53-56,82H,24,27-31,33H2,1-23H3,(H,68,84)(H,69,83)(H,70,71)(H,72,86)(H,73,85)(H,93,94)/t40-,41+,42-,44+,47+,48+,49+,50+,53+,54+,55+,56-/m1/s1
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 118n/an/an/an/an/an/an/an/a



Max-Planck Research Unit for Enzymology of Protein Folding

Curated by ChEMBL


Assay Description
Inhibition of CypC PPIase activity (unknown origin)

J Med Chem 56: 7302-11 (2013)


Article DOI: 10.1021/jm4007577
BindingDB Entry DOI: 10.7270/Q2NK3GGK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM92913
PNG
(Aryl 1-indanylketone, 2)
Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O
Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2
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 300 -34.7n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM92912
PNG
(Aryl 1-indanylketone, 1)
Show SMILES Oc1c(cc(cc1N(=O)=O)-c1cc(F)cc(c1O)N(=O)=O)C(=O)C1CCc2ccccc12
Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2
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 520 -33.5n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM92915
PNG
(Aryl 1-indanylketone, 4)
Show SMILES COc1ccc(cc1C(=O)C1CCc2ccccc12)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H19F3O3/c1-29-22-13-9-17(15-6-10-18(11-7-15)30-24(25,26)27)14-21(22)23(28)20-12-8-16-4-2-3-5-19(16)20/h2-7,9-11,13-14,20H,8,12H2,1H3
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 1.20E+3 -31.5n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM92914
PNG
(Aryl 1-indanylketone, 3)
Show SMILES COc1ccc(F)cc1-c1cc(N)c(O)c(c1)C(=O)C1CCc2ccccc12
Show InChI InChI=1S/C23H20FNO3/c1-28-21-9-7-15(24)12-18(21)14-10-19(23(27)20(25)11-14)22(26)17-8-6-13-4-2-3-5-16(13)17/h2-5,7,9-12,17,27H,6,8,25H2,1H3
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 1.70E+3 -30.7n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B


(Homo sapiens (Human))		BDBM92915
PNG
(Aryl 1-indanylketone, 4)
Show SMILES COc1ccc(cc1C(=O)C1CCc2ccccc12)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H19F3O3/c1-29-22-13-9-17(15-6-10-18(11-7-15)30-24(25,26)27)14-21(22)23(28)20-12-8-16-4-2-3-5-19(16)20/h2-7,9-11,13-14,20H,8,12H2,1H3
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 2.10E+3 -30.2n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))		BDBM92912
PNG
(Aryl 1-indanylketone, 1)
Show SMILES Oc1c(cc(cc1N(=O)=O)-c1cc(F)cc(c1O)N(=O)=O)C(=O)C1CCc2ccccc12
Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2
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 2.42E+3 -29.9n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))		BDBM92913
PNG
(Aryl 1-indanylketone, 2)
Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O
Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2
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 6.28E+3 -27.7n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B


(Homo sapiens (Human))		BDBM92914
PNG
(Aryl 1-indanylketone, 3)
Show SMILES COc1ccc(F)cc1-c1cc(N)c(O)c(c1)C(=O)C1CCc2ccccc12
Show InChI InChI=1S/C23H20FNO3/c1-28-21-9-7-15(24)12-18(21)14-10-19(23(27)20(25)11-14)22(26)17-8-6-13-4-2-3-5-16(13)17/h2-5,7,9-12,17,27H,6,8,25H2,1H3
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 8.60E+3 -27.0n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM92916
PNG
(Aryl 1-indanylketone, 5)
Show SMILES COc1ccc(cc1C(=O)C1CCc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C18H15F3O2/c1-23-16-9-7-12(18(19,20)21)10-15(16)17(22)14-8-6-11-4-2-3-5-13(11)14/h2-5,7,9-10,14H,6,8H2,1H3
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 1.00E+4 -26.6n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B


(Homo sapiens (Human))		BDBM92913
PNG
(Aryl 1-indanylketone, 2)
Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O
Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2
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 1.20E+4 -26.2n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM92918
PNG
(Benzofuranone, 7)
Show SMILES COc1ccc2OC(=O)C3(CC(C)c4ccccc34)c2c1
Show InChI InChI=1S/C18H16O3/c1-11-10-18(14-6-4-3-5-13(11)14)15-9-12(20-2)7-8-16(15)21-17(18)19/h3-9,11H,10H2,1-2H3
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 2.10E+4 -24.9n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase-like 1


(Homo sapiens (Human))		BDBM92912
PNG
(Aryl 1-indanylketone, 1)
Show SMILES Oc1c(cc(cc1N(=O)=O)-c1cc(F)cc(c1O)N(=O)=O)C(=O)C1CCc2ccccc12
Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2
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 2.90E+4 -24.2n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B


(Homo sapiens (Human))		BDBM92920
PNG
(Benzofuranone, 9)
Show SMILES COc1ccc2OC3(Cc4ccccc4C3)C(=O)c2c1
Show InChI InChI=1S/C17H14O3/c1-19-13-6-7-15-14(8-13)16(18)17(20-15)9-11-4-2-3-5-12(11)10-17/h2-8H,9-10H2,1H3
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 6.30E+4 -22.4n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM92920
PNG
(Benzofuranone, 9)
Show SMILES COc1ccc2OC3(Cc4ccccc4C3)C(=O)c2c1
Show InChI InChI=1S/C17H14O3/c1-19-13-6-7-15-14(8-13)16(18)17(20-15)9-11-4-2-3-5-12(11)10-17/h2-8H,9-10H2,1H3
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>1.00E+5>-21.3n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM92919
PNG
(Benzofuranone, 8)
Show SMILES O=C1Oc2ccccc2C11Cc2ccccc2C1
Show InChI InChI=1S/C16H12O2/c17-15-16(13-7-3-4-8-14(13)18-15)9-11-5-1-2-6-12(11)10-16/h1-8H,9-10H2
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>1.00E+5>-21.3n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A


(Homo sapiens (Human))		BDBM92917
PNG
(Aryl 1-indanylketone, 6)
Show SMILES COc1ccc(F)cc1C(=O)C1(C)CCc2ccccc12
Show InChI InChI=1S/C18H17FO2/c1-18(10-9-12-5-3-4-6-15(12)18)17(20)14-11-13(19)7-8-16(14)21-2/h3-8,11H,9-10H2,1-2H3
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>1.00E+5>-21.3n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B


(Homo sapiens (Human))		BDBM92918
PNG
(Benzofuranone, 7)
Show SMILES COc1ccc2OC(=O)C3(CC(C)c4ccccc34)c2c1
Show InChI InChI=1S/C18H16O3/c1-11-10-18(14-6-4-3-5-13(11)14)15-9-12(20-2)7-8-16(15)21-17(18)19/h3-9,11H,10H2,1-2H3
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Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B


(Homo sapiens (Human))		BDBM92917
PNG
(Aryl 1-indanylketone, 6)
Show SMILES COc1ccc(F)cc1C(=O)C1(C)CCc2ccccc12
Show InChI InChI=1S/C18H17FO2/c1-18(10-9-12-5-3-4-6-15(12)18)17(20)14-11-13(19)7-8-16(14)21-2/h3-8,11H,9-10H2,1-2H3
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>1.00E+5>-21.3n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B


(Homo sapiens (Human))		BDBM92916
PNG
(Aryl 1-indanylketone, 5)
Show SMILES COc1ccc(cc1C(=O)C1CCc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C18H15F3O2/c1-23-16-9-7-12(18(19,20)21)10-15(16)17(22)14-8-6-11-4-2-3-5-13(11)14/h2-5,7,9-10,14H,6,8H2,1H3
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>1.00E+5>-21.3n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase H


(Homo sapiens (Human))		BDBM92913
PNG
(Aryl 1-indanylketone, 2)
Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O
Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2
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>1.00E+5>-21.3n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase-like 1


(Homo sapiens (Human))		BDBM92913
PNG
(Aryl 1-indanylketone, 2)
Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O
Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2
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>1.00E+5>-21.3n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase C


(Homo sapiens (Human))		BDBM92913
PNG
(Aryl 1-indanylketone, 2)
Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O
Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2
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>1.00E+5>-21.3n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase H


(Homo sapiens (Human))		BDBM92912
PNG
(Aryl 1-indanylketone, 1)
Show SMILES Oc1c(cc(cc1N(=O)=O)-c1cc(F)cc(c1O)N(=O)=O)C(=O)C1CCc2ccccc12
Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2
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>1.00E+5>-21.3n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B


(Homo sapiens (Human))		BDBM92919
PNG
(Benzofuranone, 8)
Show SMILES O=C1Oc2ccccc2C11Cc2ccccc2C1
Show InChI InChI=1S/C16H12O2/c17-15-16(13-7-3-4-8-14(13)18-15)9-11-5-1-2-6-12(11)10-16/h1-8H,9-10H2
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>1.00E+5>-21.3n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase C


(Homo sapiens (Human))		BDBM92912
PNG
(Aryl 1-indanylketone, 1)
Show SMILES Oc1c(cc(cc1N(=O)=O)-c1cc(F)cc(c1O)N(=O)=O)C(=O)C1CCc2ccccc12
Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2
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>1.00E+5>-21.3n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase B


(Homo sapiens (Human))		BDBM92912
PNG
(Aryl 1-indanylketone, 1)
Show SMILES Oc1c(cc(cc1N(=O)=O)-c1cc(F)cc(c1O)N(=O)=O)C(=O)C1CCc2ccccc12
Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2
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>1.00E+5>-21.3n/an/an/an/an/a7.85



Max Planck Research



Assay Description
PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...

Biochemistry 48: 6268-77 (2009)


Article DOI: 10.1021/bi9007287
BindingDB Entry DOI: 10.7270/Q2X34W26
More data for this
Ligand-Target Pair