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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with Target = 'Cyclophilin B (CypB)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 B (CypB)


(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
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)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(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+3n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(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+3n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(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+4n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(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+4n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(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+5n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(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+5n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(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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>1.00E+5n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(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+5n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(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+5n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(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/a 8.78n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330185
PNG
(2-((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl...)
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](CC#N)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/C63H110N12O12/c1-24-26-27-41(15)53(77)52-57(81)66-43(25-2)58(82)69(17)34-49(76)70(18)45(30-35(3)4)56(80)68-50(39(11)12)62(86)71(19)46(31-36(5)6)55(79)65-42(16)54(78)67-44(28-29-64)59(83)72(20)47(32-37(7)8)60(84)73(21)48(33-38(9)10)61(85)74(22)51(40(13)14)63(87)75(52)23/h24,26,35-48,50-53,77H,25,27-28,30-34H2,1-23H3,(H,65,79)(H,66,81)(H,67,78)(H,68,80)/b26-24+/t41-,42+,43+,44-,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1
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n/an/a 9.45n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(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/a 10.3n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330190
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(4-amino...)
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](CCCCN)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/C65H118N12O12/c1-24-26-29-43(15)55(79)54-59(83)68-45(25-2)60(84)71(17)36-51(78)72(18)47(32-37(3)4)58(82)70-52(41(11)12)64(88)73(19)48(33-38(5)6)57(81)67-44(16)56(80)69-46(30-27-28-31-66)61(85)74(20)49(34-39(7)8)62(86)75(21)50(35-40(9)10)63(87)76(22)53(42(13)14)65(89)77(54)23/h24,26,37-50,52-55,79H,25,27-36,66H2,1-23H3,(H,67,81)(H,68,83)(H,69,80)(H,70,82)/b26-24+/t43-,44+,45+,46-,47+,48+,49+,50+,52+,53+,54+,55-/m1/s1
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n/an/a 12.7n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330197
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(3-(diet...)
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](CCCN(CC)CC)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/C68H124N12O12/c1-26-30-32-46(17)58(82)57-62(86)70-48(27-2)63(87)73(19)39-54(81)74(20)50(35-40(5)6)61(85)72-55(44(13)14)67(91)75(21)51(36-41(7)8)60(84)69-47(18)59(83)71-49(33-31-34-80(28-3)29-4)64(88)76(22)52(37-42(9)10)65(89)77(23)53(38-43(11)12)66(90)78(24)56(45(15)16)68(92)79(57)25/h26,30,40-53,55-58,82H,27-29,31-39H2,1-25H3,(H,69,84)(H,70,86)(H,71,83)(H,72,85)/b30-26+/t46-,47+,48+,49-,50+,51+,52+,53+,55+,56+,57+,58-/m1/s1
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n/an/a 17.2n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330198
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(4-(diet...)
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](CCCCN(CC)CC)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/C69H126N12O12/c1-26-30-33-47(17)59(83)58-63(87)71-49(27-2)64(88)74(19)40-55(82)75(20)51(36-41(5)6)62(86)73-56(45(13)14)68(92)76(21)52(37-42(7)8)61(85)70-48(18)60(84)72-50(34-31-32-35-81(28-3)29-4)65(89)77(22)53(38-43(9)10)66(90)78(23)54(39-44(11)12)67(91)79(24)57(46(15)16)69(93)80(58)25/h26,30,41-54,56-59,83H,27-29,31-40H2,1-25H3,(H,70,85)(H,71,87)(H,72,84)(H,73,86)/b30-26+/t47-,48+,49+,50-,51+,52+,53+,54+,56+,57+,58+,59-/m1/s1
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n/an/a 19.8n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330184
PNG
(CHEMBL1269582 | N-(4-((2R,5S,8S,11S,14S,17S,23S,26...)
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](CCCCNC(=O)C(C)(C)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/C70H126N12O13/c1-27-29-32-46(15)58(84)57-62(88)73-48(28-2)63(89)76(20)39-54(83)77(21)50(35-40(3)4)61(87)75-55(44(11)12)67(93)78(22)51(36-41(5)6)60(86)72-47(16)59(85)74-49(33-30-31-34-71-69(95)70(17,18)19)64(90)79(23)52(37-42(7)8)65(91)80(24)53(38-43(9)10)66(92)81(25)56(45(13)14)68(94)82(57)26/h27,29,40-53,55-58,84H,28,30-39H2,1-26H3,(H,71,95)(H,72,86)(H,73,88)(H,74,85)(H,75,87)/b29-27+/t46-,47+,48+,49-,50+,51+,52+,53+,55+,56+,57+,58-/m1/s1
PDB
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n/an/a 20.6n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330186
PNG
(3-((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl...)
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](CCC#N)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/C64H112N12O12/c1-24-26-28-42(15)54(78)53-58(82)67-44(25-2)59(83)70(17)35-50(77)71(18)46(31-36(3)4)57(81)69-51(40(11)12)63(87)72(19)47(32-37(5)6)56(80)66-43(16)55(79)68-45(29-27-30-65)60(84)73(20)48(33-38(7)8)61(85)74(21)49(34-39(9)10)62(86)75(22)52(41(13)14)64(88)76(53)23/h24,26,36-49,51-54,78H,25,27-29,31-35H2,1-23H3,(H,66,80)(H,67,82)(H,68,79)(H,69,81)/b26-24+/t42-,43+,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1
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n/an/a 24.2n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330191
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-((dimeth...)
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](CN(C)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/C64H116N12O12/c1-26-28-29-42(15)54(78)53-58(82)66-44(27-2)59(83)70(19)35-50(77)71(20)46(30-36(3)4)57(81)68-51(40(11)12)63(87)72(21)47(31-37(5)6)56(80)65-43(16)55(79)67-45(34-69(17)18)60(84)73(22)48(32-38(7)8)61(85)74(23)49(33-39(9)10)62(86)75(24)52(41(13)14)64(88)76(53)25/h26,28,36-49,51-54,78H,27,29-35H2,1-25H3,(H,65,80)(H,66,82)(H,67,79)(H,68,81)/b28-26+/t42-,43+,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1
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n/an/a 25.2n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330182
PNG
(CHEMBL1269580 | N-(2-((2R,5S,8S,11S,14S,17S,23S,26...)
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](CCNC(=O)C(C)(C)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/C68H122N12O13/c1-27-29-30-44(15)56(82)55-60(86)71-46(28-2)61(87)74(20)37-52(81)75(21)48(33-38(3)4)59(85)73-53(42(11)12)65(91)76(22)49(34-39(5)6)58(84)70-45(16)57(83)72-47(31-32-69-67(93)68(17,18)19)62(88)77(23)50(35-40(7)8)63(89)78(24)51(36-41(9)10)64(90)79(25)54(43(13)14)66(92)80(55)26/h27,29,38-51,53-56,82H,28,30-37H2,1-26H3,(H,69,93)(H,70,84)(H,71,86)(H,72,83)(H,73,85)/b29-27+/t44-,45+,46+,47-,48+,49+,50+,51+,53+,54+,55+,56-/m1/s1
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n/an/a 26.1n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330193
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(3-(dime...)
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](CCCN(C)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/C66H120N12O12/c1-26-28-30-44(15)56(80)55-60(84)68-46(27-2)61(85)72(19)37-52(79)73(20)48(33-38(3)4)59(83)70-53(42(11)12)65(89)74(21)49(34-39(5)6)58(82)67-45(16)57(81)69-47(31-29-32-71(17)18)62(86)75(22)50(35-40(7)8)63(87)76(23)51(36-41(9)10)64(88)77(24)54(43(13)14)66(90)78(55)25/h26,28,38-51,53-56,80H,27,29-37H2,1-25H3,(H,67,82)(H,68,84)(H,69,81)(H,70,83)/b28-26+/t44-,45+,46+,47-,48+,49+,50+,51+,53+,54+,55+,56-/m1/s1
PDB
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n/an/a 28.9n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330183
PNG
(CHEMBL1269581 | N-(3-((2R,5S,8S,11S,14S,17S,23S,26...)
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](CCCNC(=O)C(C)(C)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/C69H124N12O13/c1-27-29-31-45(15)57(83)56-61(87)72-47(28-2)62(88)75(20)38-53(82)76(21)49(34-39(3)4)60(86)74-54(43(11)12)66(92)77(22)50(35-40(5)6)59(85)71-46(16)58(84)73-48(32-30-33-70-68(94)69(17,18)19)63(89)78(23)51(36-41(7)8)64(90)79(24)52(37-42(9)10)65(91)80(25)55(44(13)14)67(93)81(56)26/h27,29,39-52,54-57,83H,28,30-38H2,1-26H3,(H,70,94)(H,71,85)(H,72,87)(H,73,84)(H,74,86)/b29-27+/t45-,46+,47+,48-,49+,50+,51+,52+,54+,55+,56+,57-/m1/s1
PDB
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n/an/a 30.5n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330196
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(2-(diet...)
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](CCN(CC)CC)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/C67H122N12O12/c1-26-30-31-45(17)57(81)56-61(85)69-47(27-2)62(86)72(19)38-53(80)73(20)49(34-39(5)6)60(84)71-54(43(13)14)66(90)74(21)50(35-40(7)8)59(83)68-46(18)58(82)70-48(32-33-79(28-3)29-4)63(87)75(22)51(36-41(9)10)64(88)76(23)52(37-42(11)12)65(89)77(24)55(44(15)16)67(91)78(56)25/h26,30,39-52,54-57,81H,27-29,31-38H2,1-25H3,(H,68,83)(H,69,85)(H,70,82)(H,71,84)/b30-26+/t45-,46+,47+,48-,49+,50+,51+,52+,54+,55+,56+,57-/m1/s1
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n/an/a 55.9n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330192
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(2-(dime...)
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](CCN(C)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/C65H118N12O12/c1-26-28-29-43(15)55(79)54-59(83)67-45(27-2)60(84)71(19)36-51(78)72(20)47(32-37(3)4)58(82)69-52(41(11)12)64(88)73(21)48(33-38(5)6)57(81)66-44(16)56(80)68-46(30-31-70(17)18)61(85)74(22)49(34-39(7)8)62(86)75(23)50(35-40(9)10)63(87)76(24)53(42(13)14)65(89)77(54)25/h26,28,37-50,52-55,79H,27,29-36H2,1-25H3,(H,66,81)(H,67,83)(H,68,80)(H,69,82)/b28-26+/t43-,44+,45+,46-,47+,48+,49+,50+,52+,53+,54+,55-/m1/s1
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n/an/a 59.5n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330181
PNG
(CHEMBL1269579 | tert-butyl((2R,5S,8S,11S,14S,17S,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](CNC(=O)OC(C)(C)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/C67H120N12O14/c1-27-29-30-43(15)55(81)54-59(85)70-45(28-2)60(86)73(20)36-51(80)74(21)47(31-37(3)4)58(84)72-52(41(11)12)64(90)75(22)48(32-38(5)6)57(83)69-44(16)56(82)71-46(35-68-66(92)93-67(17,18)19)61(87)76(23)49(33-39(7)8)62(88)77(24)50(34-40(9)10)63(89)78(25)53(42(13)14)65(91)79(54)26/h27,29,37-50,52-55,81H,28,30-36H2,1-26H3,(H,68,92)(H,69,83)(H,70,85)(H,71,82)(H,72,84)/b29-27+/t43-,44+,45+,46-,47+,48+,49+,50+,52+,53+,54+,55-/m1/s1
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n/an/a 66.8n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330187
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(aminome...)
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](CN)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/C62H112N12O12/c1-24-26-27-40(15)52(76)51-56(80)65-42(25-2)57(81)68(17)33-48(75)69(18)44(28-34(3)4)55(79)67-49(38(11)12)61(85)70(19)45(29-35(5)6)54(78)64-41(16)53(77)66-43(32-63)58(82)71(20)46(30-36(7)8)59(83)72(21)47(31-37(9)10)60(84)73(22)50(39(13)14)62(86)74(51)23/h24,26,34-47,49-52,76H,25,27-33,63H2,1-23H3,(H,64,78)(H,65,80)(H,66,77)(H,67,79)/b26-24+/t40-,41+,42+,43-,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/a 79.7n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330194
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(4-(dime...)
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](CCCCN(C)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/C67H122N12O12/c1-26-28-31-45(15)57(81)56-61(85)69-47(27-2)62(86)73(19)38-53(80)74(20)49(34-39(3)4)60(84)71-54(43(11)12)66(90)75(21)50(35-40(5)6)59(83)68-46(16)58(82)70-48(32-29-30-33-72(17)18)63(87)76(22)51(36-41(7)8)64(88)77(23)52(37-42(9)10)65(89)78(24)55(44(13)14)67(91)79(56)25/h26,28,39-52,54-57,81H,27,29-38H2,1-25H3,(H,68,83)(H,69,85)(H,70,82)(H,71,84)/b28-26+/t45-,46+,47+,48-,49+,50+,51+,52+,54+,55+,56+,57-/m1/s1
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n/an/a 97.1n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330188
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(2-amino...)
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](CCN)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/C63H114N12O12/c1-24-26-27-41(15)53(77)52-57(81)66-43(25-2)58(82)69(17)34-49(76)70(18)45(30-35(3)4)56(80)68-50(39(11)12)62(86)71(19)46(31-36(5)6)55(79)65-42(16)54(78)67-44(28-29-64)59(83)72(20)47(32-37(7)8)60(84)73(21)48(33-38(9)10)61(85)74(22)51(40(13)14)63(87)75(52)23/h24,26,35-48,50-53,77H,25,27-34,64H2,1-23H3,(H,65,79)(H,66,81)(H,67,78)(H,68,80)/b26-24+/t41-,42+,43+,44-,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1
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n/an/a 151n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330195
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-((diethy...)
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](CN(CC)CC)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/C66H120N12O12/c1-26-30-31-44(17)56(80)55-60(84)68-46(27-2)61(85)71(19)37-52(79)72(20)48(32-38(5)6)59(83)70-53(42(13)14)65(89)73(21)49(33-39(7)8)58(82)67-45(18)57(81)69-47(36-78(28-3)29-4)62(86)74(22)50(34-40(9)10)63(87)75(23)51(35-41(11)12)64(88)76(24)54(43(15)16)66(90)77(55)25/h26,30,38-51,53-56,80H,27-29,31-37H2,1-25H3,(H,67,82)(H,68,84)(H,69,81)(H,70,83)/b30-26+/t44-,45+,46+,47-,48+,49+,50+,51+,53+,54+,55+,56-/m1/s1
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n/an/a 158n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM140005
PNG
(US8901295, F684)
Show SMILES CSc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1
Show InChI InChI=1S/C21H26N4O2S/c1-28-19-7-3-2-5-17(19)18-6-4-12-25(18)20(26)14-24-21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5,7-11,18H,4,6,12-14,22H2,1H3,(H2,23,24,27)
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n/an/a 650n/an/an/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique

US Patent


Assay Description
Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...


US Patent US8901295 (2014)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM140004
PNG
(US8901295, F680)
Show SMILES Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2ccccc2Br)cc1
Show InChI InChI=1S/C20H23BrN4O2/c21-17-5-2-1-4-16(17)18-6-3-11-25(18)19(26)13-24-20(27)23-12-14-7-9-15(22)10-8-14/h1-2,4-5,7-10,18H,3,6,11-13,22H2,(H2,23,24,27)
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n/an/a 760n/an/an/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique

US Patent


Assay Description
Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...


US Patent US8901295 (2014)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM140001
PNG
(US8901295, F609)
Show SMILES COc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1
Show InChI InChI=1S/C21H26N4O3/c1-28-19-7-3-2-5-17(19)18-6-4-12-25(18)20(26)14-24-21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5,7-11,18H,4,6,12-14,22H2,1H3,(H2,23,24,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique

US Patent


Assay Description
Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...


US Patent US8901295 (2014)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM50330189
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(3-amino...)
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](CCCN)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/C64H116N12O12/c1-24-26-28-42(15)54(78)53-58(82)67-44(25-2)59(83)70(17)35-50(77)71(18)46(31-36(3)4)57(81)69-51(40(11)12)63(87)72(19)47(32-37(5)6)56(80)66-43(16)55(79)68-45(29-27-30-65)60(84)73(20)48(33-38(7)8)61(85)74(21)49(34-39(9)10)62(86)75(22)52(41(13)14)64(88)76(53)23/h24,26,36-49,51-54,78H,25,27-35,65H2,1-23H3,(H,66,80)(H,67,82)(H,68,79)(H,69,81)/b26-24+/t42-,43+,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1
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n/an/a 1.58E+3n/an/an/an/an/an/a



SCYNEXIS, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to cyclophilin B by ELISA


Bioorg Med Chem Lett 20: 6542-6 (2010)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM46034
PNG
(US8901295, F607)
Show SMILES CCN(OCc1ccccc1)C(=O)CNC(=O)NCc1ccc(N)cc1
Show InChI InChI=1S/C19H24N4O3/c1-2-23(26-14-16-6-4-3-5-7-16)18(24)13-22-19(25)21-12-15-8-10-17(20)11-9-15/h3-11H,2,12-14,20H2,1H3,(H2,21,22,25)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique

US Patent


Assay Description
Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...


US Patent US8901295 (2014)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM140000
PNG
(US8901295, F587)
Show SMILES COc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(N)nc1
Show InChI InChI=1S/C20H25N5O3/c1-28-17-7-3-2-5-15(17)16-6-4-10-25(16)19(26)13-24-20(27)23-12-14-8-9-18(21)22-11-14/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3,(H2,21,22)(H2,23,24,27)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique

US Patent


Assay Description
Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...


US Patent US8901295 (2014)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM139995
PNG
(US8901295, F428)
Show SMILES CCOC(=O)CNC(=O)NCc1ccc(N)cc1
Show InChI InChI=1S/C12H17N3O3/c1-2-18-11(16)8-15-12(17)14-7-9-3-5-10(13)6-4-9/h3-6H,2,7-8,13H2,1H3,(H2,14,15,17)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique

US Patent


Assay Description
Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...


US Patent US8901295 (2014)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM139997
PNG
(US8901295, F554)
Show SMILES Nc1ccc(CNC(=O)NCC(=O)N2CCOC(CN3C(=O)c4ccccc4C3=O)C2)cc1
Show InChI InChI=1/C23H25N5O5/c24-16-7-5-15(6-8-16)11-25-23(32)26-12-20(29)27-9-10-33-17(13-27)14-28-21(30)18-3-1-2-4-19(18)22(28)31/h1-8,17H,9-14,24H2,(H2,25,26,32)
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n/an/a 2.46E+4n/an/an/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique

US Patent


Assay Description
Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...


US Patent US8901295 (2014)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM139998
PNG
(US8901295, F555)
Show SMILES COc1ccc(cc1)N(C)C(=O)CNC(=O)NCc1ccc(N)cc1
Show InChI InChI=1S/C18H22N4O3/c1-22(15-7-9-16(25-2)10-8-15)17(23)12-21-18(24)20-11-13-3-5-14(19)6-4-13/h3-10H,11-12,19H2,1-2H3,(H2,20,21,24)
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n/an/a 2.78E+4n/an/an/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique

US Patent


Assay Description
Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...


US Patent US8901295 (2014)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM46031
PNG
(US8901295, F542)
Show SMILES Nc1ccc(CNC(=O)NCC(O)N2CCCCC2C(=O)N2CCCC2)cc1
Show InChI InChI=1/C20H31N5O3/c21-16-8-6-15(7-9-16)13-22-20(28)23-14-18(26)25-12-2-1-5-17(25)19(27)24-10-3-4-11-24/h6-9,17-18,26H,1-5,10-14,21H2,(H2,22,23,28)
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n/an/a 3.66E+4n/an/an/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique

US Patent


Assay Description
Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...


US Patent US8901295 (2014)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM139999
PNG
(US8901295, F557)
Show SMILES CN(C(=O)CNC(=O)NCc1ccc(N)cc1)c1ccccc1
Show InChI InChI=1S/C17H20N4O2/c1-21(15-5-3-2-4-6-15)16(22)12-20-17(23)19-11-13-7-9-14(18)10-8-13/h2-10H,11-12,18H2,1H3,(H2,19,20,23)
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n/an/a 4.45E+4n/an/an/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique

US Patent


Assay Description
Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...


US Patent US8901295 (2014)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(Homo sapiens (Human))
BDBM139996
PNG
(US8901295, F545)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)CNC(=O)NCc1ccc(N)cc1
Show InChI InChI=1/C18H26N4O4/c1-2-26-17(24)14-4-3-9-22(12-14)16(23)11-21-18(25)20-10-13-5-7-15(19)8-6-13/h5-8,14H,2-4,9-12,19H2,1H3,(H2,20,21,25)
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n/an/a 7.51E+4n/an/an/an/an/an/a



Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique

US Patent


Assay Description
Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...


US Patent US8901295 (2014)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(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 2.90n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


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


J Med Chem 57: 8503-16 (2014)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(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 1n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


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


J Med Chem 57: 8503-16 (2014)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(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 7.40n/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


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


J Med Chem 57: 8503-16 (2014)

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(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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MMDB
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n/an/an/a 9.80n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to human Cyclophilin B


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

More data for this
Ligand-Target Pair
Cyclophilin B (CypB)


(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=1/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-/s2
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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 B by surface plasmon resonance method


J Med Chem 57: 8503-16 (2014)

More data for this
Ligand-Target Pair