Found 20 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50323715
(2-(((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethy...)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](COCC(=O)Nc2ccc(cc2)\N=N/c2ccccc2)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/C76H122N14O14/c1-24-26-30-50(15)66(93)65-70(97)79-55(25-2)71(98)84(17)41-62(92)85(18)57(37-44(3)4)69(96)81-63(48(11)12)75(102)86(19)58(38-45(5)6)68(95)77-51(16)67(94)80-56(42-104-43-61(91)78-52-33-35-54(36-34-52)83-82-53-31-28-27-29-32-53)72(99)87(20)59(39-46(7)8)73(100)88(21)60(40-47(9)10)74(101)89(22)64(49(13)14)76(103)90(65)23/h24,26-29,31-36,44-51,55-60,63-66,93H,25,30,37-43H2,1-23H3,(H,77,95)(H,78,91)(H,79,97)(H,80,94)(H,81,96)/b26-24+,83-82-/t50-,51+,55+,56-,57+,58+,59+,60+,63+,64+,65+,66-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.79 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of PPIase activity of cyclophilin 18 by protease coupled assay |
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 | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50022815
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of PPIase activity of cyclophilin 18 by protease coupled assay |
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 | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50323716
(2-(((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethy...)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](COCC(=O)Nc2ccc(cc2)\N=N\c2ccccc2)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/C76H122N14O14/c1-24-26-30-50(15)66(93)65-70(97)79-55(25-2)71(98)84(17)41-62(92)85(18)57(37-44(3)4)69(96)81-63(48(11)12)75(102)86(19)58(38-45(5)6)68(95)77-51(16)67(94)80-56(42-104-43-61(91)78-52-33-35-54(36-34-52)83-82-53-31-28-27-29-32-53)72(99)87(20)59(39-46(7)8)73(100)88(21)60(40-47(9)10)74(101)89(22)64(49(13)14)76(103)90(65)23/h24,26-29,31-36,44-51,55-60,63-66,93H,25,30,37-43H2,1-23H3,(H,77,95)(H,78,91)(H,79,97)(H,80,94)(H,81,96)/b26-24+,83-82+/t50-,51+,55+,56-,57+,58+,59+,60+,63+,64+,65+,66-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.75 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of PPIase activity of cyclophilin 18 by protease coupled assay |
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 | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50323712
((R,S,S,S,S,S,R,R,S,S,S,S,E)-N,N'-(4,4'-((Z)-diazen...)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](COCC(=O)Nc2ccc(cc2)\N=N/c2ccc(NC(=O)COC[C@H]3NC(=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)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)C3=O)C(C)C)cc2)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/C140H234N26O28/c1-47-51-53-89(29)119(171)117-127(179)145-97(49-3)129(181)153(33)71-111(169)155(35)101(63-77(5)6)125(177)149-113(85(21)22)137(189)157(37)103(65-79(9)10)123(175)141-91(31)121(173)147-99(131(183)159(39)105(67-81(13)14)133(185)161(41)107(69-83(17)18)135(187)163(43)115(87(25)26)139(191)165(117)45)73-193-75-109(167)143-93-55-59-95(60-56-93)151-152-96-61-57-94(58-62-96)144-110(168)76-194-74-100-132(184)160(40)106(68-82(15)16)134(186)162(42)108(70-84(19)20)136(188)164(44)116(88(27)28)140(192)166(46)118(120(172)90(30)54-52-48-2)128(180)146-98(50-4)130(182)154(34)72-112(170)156(36)102(64-78(7)8)126(178)150-114(86(23)24)138(190)158(38)104(66-80(11)12)124(176)142-92(32)122(174)148-100/h47-48,51-52,55-62,77-92,97-108,113-120,171-172H,49-50,53-54,63-76H2,1-46H3,(H,141,175)(H,142,176)(H,143,167)(H,144,168)(H,145,179)(H,146,180)(H,147,173)(H,148,174)(H,149,177)(H,150,178)/b51-47+,52-48+,152-151-/t89-,90-,91+,92+,97+,98+,99-,100-,101+,102+,103+,104+,105+,106+,107+,108+,113+,114+,115+,116+,117+,118+,119-,120-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of PPIase activity of cyclophilin 18 by protease coupled assay |
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 | |
Protein phosphatase 3 catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50323716
(2-(((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethy...)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](COCC(=O)Nc2ccc(cc2)\N=N\c2ccccc2)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/C76H122N14O14/c1-24-26-30-50(15)66(93)65-70(97)79-55(25-2)71(98)84(17)41-62(92)85(18)57(37-44(3)4)69(96)81-63(48(11)12)75(102)86(19)58(38-45(5)6)68(95)77-51(16)67(94)80-56(42-104-43-61(91)78-52-33-35-54(36-34-52)83-82-53-31-28-27-29-32-53)72(99)87(20)59(39-46(7)8)73(100)88(21)60(40-47(9)10)74(101)89(22)64(49(13)14)76(103)90(65)23/h24,26-29,31-36,44-51,55-60,63-66,93H,25,30,37-43H2,1-23H3,(H,77,95)(H,78,91)(H,79,97)(H,80,94)(H,81,96)/b26-24+,83-82+/t50-,51+,55+,56-,57+,58+,59+,60+,63+,64+,65+,66-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of calcineurin-mediated NFAT activation in human Jurkat cells measured after 45 min of irradiation with 740 nm light by luciferase reporte... |
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 | |
Protein phosphatase 3 catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50323716
(2-(((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethy...)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](COCC(=O)Nc2ccc(cc2)\N=N\c2ccccc2)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/C76H122N14O14/c1-24-26-30-50(15)66(93)65-70(97)79-55(25-2)71(98)84(17)41-62(92)85(18)57(37-44(3)4)69(96)81-63(48(11)12)75(102)86(19)58(38-45(5)6)68(95)77-51(16)67(94)80-56(42-104-43-61(91)78-52-33-35-54(36-34-52)83-82-53-31-28-27-29-32-53)72(99)87(20)59(39-46(7)8)73(100)88(21)60(40-47(9)10)74(101)89(22)64(49(13)14)76(103)90(65)23/h24,26-29,31-36,44-51,55-60,63-66,93H,25,30,37-43H2,1-23H3,(H,77,95)(H,78,91)(H,79,97)(H,80,94)(H,81,96)/b26-24+,83-82+/t50-,51+,55+,56-,57+,58+,59+,60+,63+,64+,65+,66-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of calcineurin-mediated NFAT activation in human Jurkat cells by luciferase reporter gene assay |
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 | |
Protein phosphatase 3 catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50323714
(CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(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](COCC(=O)Nc2ccc(cc2)N=Nc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)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,w:59.60| Show InChI InChI=1S/C86H137N17O16S/c1-24-26-29-54(15)75(107)74-79(111)90-60(25-2)80(112)97(17)44-70(106)98(18)63(40-48(3)4)78(110)93-71(52(11)12)84(116)99(19)64(41-49(5)6)77(109)87-55(16)76(108)91-61(81(113)100(20)65(42-50(7)8)82(114)101(21)66(43-51(9)10)83(115)102(22)73(53(13)14)85(117)103(74)23)45-119-46-69(105)89-57-34-38-59(39-35-57)96-95-58-36-32-56(33-37-58)88-68(104)31-28-27-30-67-72-62(47-120-67)92-86(118)94-72/h24,26,32-39,48-55,60-67,71-75,107H,25,27-31,40-47H2,1-23H3,(H,87,109)(H,88,104)(H,89,105)(H,90,111)(H,91,108)(H,93,110)(H2,92,94,118)/b26-24+,96-95?/t54-,55+,60+,61-,62+,63+,64+,65+,66+,67+,71+,72+,73+,74+,75-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of calcineurin-mediated NFAT activation in human Jurkat cells measured after 45 min of irradiation with 740 nm light by luciferase reporte... |
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 | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50022815
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Binding affinity to human cyclophilin 18 |
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 | |
Protein phosphatase 3 catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50323714
(CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(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](COCC(=O)Nc2ccc(cc2)N=Nc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)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,w:59.60| Show InChI InChI=1S/C86H137N17O16S/c1-24-26-29-54(15)75(107)74-79(111)90-60(25-2)80(112)97(17)44-70(106)98(18)63(40-48(3)4)78(110)93-71(52(11)12)84(116)99(19)64(41-49(5)6)77(109)87-55(16)76(108)91-61(81(113)100(20)65(42-50(7)8)82(114)101(21)66(43-51(9)10)83(115)102(22)73(53(13)14)85(117)103(74)23)45-119-46-69(105)89-57-34-38-59(39-35-57)96-95-58-36-32-56(33-37-58)88-68(104)31-28-27-30-67-72-62(47-120-67)92-86(118)94-72/h24,26,32-39,48-55,60-67,71-75,107H,25,27-31,40-47H2,1-23H3,(H,87,109)(H,88,104)(H,89,105)(H,90,111)(H,91,108)(H,93,110)(H2,92,94,118)/b26-24+,96-95?/t54-,55+,60+,61-,62+,63+,64+,65+,66+,67+,71+,72+,73+,74+,75-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of calcineurin-mediated NFAT activation in human Jurkat cells by luciferase reporter gene assay |
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 | |
Protein phosphatase 3 catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50323713
((E/Z)-(R,S,S,S,S,S,R,R,S,S,S,S)-N,N'-(4,4'-(diazen...)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](COCC(=O)Nc2ccc(cc2)\N=N\c2ccc(NC(=O)COC[C@H]3NC(=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)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)C3=O)C(C)C)cc2)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/C140H234N26O28/c1-47-51-53-89(29)119(171)117-127(179)145-97(49-3)129(181)153(33)71-111(169)155(35)101(63-77(5)6)125(177)149-113(85(21)22)137(189)157(37)103(65-79(9)10)123(175)141-91(31)121(173)147-99(131(183)159(39)105(67-81(13)14)133(185)161(41)107(69-83(17)18)135(187)163(43)115(87(25)26)139(191)165(117)45)73-193-75-109(167)143-93-55-59-95(60-56-93)151-152-96-61-57-94(58-62-96)144-110(168)76-194-74-100-132(184)160(40)106(68-82(15)16)134(186)162(42)108(70-84(19)20)136(188)164(44)116(88(27)28)140(192)166(46)118(120(172)90(30)54-52-48-2)128(180)146-98(50-4)130(182)154(34)72-112(170)156(36)102(64-78(7)8)126(178)150-114(86(23)24)138(190)158(38)104(66-80(11)12)124(176)142-92(32)122(174)148-100/h47-48,51-52,55-62,77-92,97-108,113-120,171-172H,49-50,53-54,63-76H2,1-46H3,(H,141,175)(H,142,176)(H,143,167)(H,144,168)(H,145,179)(H,146,180)(H,147,173)(H,148,174)(H,149,177)(H,150,178)/b51-47+,52-48+,152-151+/t89-,90-,91+,92+,97+,98+,99-,100-,101+,102+,103+,104+,105+,106+,107+,108+,113+,114+,115+,116+,117+,118+,119-,120-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of calcineurin-mediated NFAT activation in human Jurkat cells measured after 45 min of irradiation with 740 nm light by luciferase reporte... |
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 | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50323715
(2-(((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethy...)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](COCC(=O)Nc2ccc(cc2)\N=N/c2ccccc2)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/C76H122N14O14/c1-24-26-30-50(15)66(93)65-70(97)79-55(25-2)71(98)84(17)41-62(92)85(18)57(37-44(3)4)69(96)81-63(48(11)12)75(102)86(19)58(38-45(5)6)68(95)77-51(16)67(94)80-56(42-104-43-61(91)78-52-33-35-54(36-34-52)83-82-53-31-28-27-29-32-53)72(99)87(20)59(39-46(7)8)73(100)88(21)60(40-47(9)10)74(101)89(22)64(49(13)14)76(103)90(65)23/h24,26-29,31-36,44-51,55-60,63-66,93H,25,30,37-43H2,1-23H3,(H,77,95)(H,78,91)(H,79,97)(H,80,94)(H,81,96)/b26-24+,83-82-/t50-,51+,55+,56-,57+,58+,59+,60+,63+,64+,65+,66-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin 18 assessed as reduction in [33P]phosphatase activity of calcineurin by protease coupled assay |
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 | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50323713
((E/Z)-(R,S,S,S,S,S,R,R,S,S,S,S)-N,N'-(4,4'-(diazen...)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](COCC(=O)Nc2ccc(cc2)\N=N\c2ccc(NC(=O)COC[C@H]3NC(=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)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)C3=O)C(C)C)cc2)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/C140H234N26O28/c1-47-51-53-89(29)119(171)117-127(179)145-97(49-3)129(181)153(33)71-111(169)155(35)101(63-77(5)6)125(177)149-113(85(21)22)137(189)157(37)103(65-79(9)10)123(175)141-91(31)121(173)147-99(131(183)159(39)105(67-81(13)14)133(185)161(41)107(69-83(17)18)135(187)163(43)115(87(25)26)139(191)165(117)45)73-193-75-109(167)143-93-55-59-95(60-56-93)151-152-96-61-57-94(58-62-96)144-110(168)76-194-74-100-132(184)160(40)106(68-82(15)16)134(186)162(42)108(70-84(19)20)136(188)164(44)116(88(27)28)140(192)166(46)118(120(172)90(30)54-52-48-2)128(180)146-98(50-4)130(182)154(34)72-112(170)156(36)102(64-78(7)8)126(178)150-114(86(23)24)138(190)158(38)104(66-80(11)12)124(176)142-92(32)122(174)148-100/h47-48,51-52,55-62,77-92,97-108,113-120,171-172H,49-50,53-54,63-76H2,1-46H3,(H,141,175)(H,142,176)(H,143,167)(H,144,168)(H,145,179)(H,146,180)(H,147,173)(H,148,174)(H,149,177)(H,150,178)/b51-47+,52-48+,152-151+/t89-,90-,91+,92+,97+,98+,99-,100-,101+,102+,103+,104+,105+,106+,107+,108+,113+,114+,115+,116+,117+,118+,119-,120-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 206 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of PPIase activity of cyclophilin 18 by protease coupled assay |
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 | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50323716
(2-(((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethy...)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](COCC(=O)Nc2ccc(cc2)\N=N\c2ccccc2)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/C76H122N14O14/c1-24-26-30-50(15)66(93)65-70(97)79-55(25-2)71(98)84(17)41-62(92)85(18)57(37-44(3)4)69(96)81-63(48(11)12)75(102)86(19)58(38-45(5)6)68(95)77-51(16)67(94)80-56(42-104-43-61(91)78-52-33-35-54(36-34-52)83-82-53-31-28-27-29-32-53)72(99)87(20)59(39-46(7)8)73(100)88(21)60(40-47(9)10)74(101)89(22)64(49(13)14)76(103)90(65)23/h24,26-29,31-36,44-51,55-60,63-66,93H,25,30,37-43H2,1-23H3,(H,77,95)(H,78,91)(H,79,97)(H,80,94)(H,81,96)/b26-24+,83-82+/t50-,51+,55+,56-,57+,58+,59+,60+,63+,64+,65+,66-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 227 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Binding affinity to streptavidin-coupled biotin-labeled cyclophilin 18 assessed as reduction in [33P] phosphatase activity of calcineurin by protease... |
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 | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50323712
((R,S,S,S,S,S,R,R,S,S,S,S,E)-N,N'-(4,4'-((Z)-diazen...)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](COCC(=O)Nc2ccc(cc2)\N=N/c2ccc(NC(=O)COC[C@H]3NC(=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)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)C3=O)C(C)C)cc2)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/C140H234N26O28/c1-47-51-53-89(29)119(171)117-127(179)145-97(49-3)129(181)153(33)71-111(169)155(35)101(63-77(5)6)125(177)149-113(85(21)22)137(189)157(37)103(65-79(9)10)123(175)141-91(31)121(173)147-99(131(183)159(39)105(67-81(13)14)133(185)161(41)107(69-83(17)18)135(187)163(43)115(87(25)26)139(191)165(117)45)73-193-75-109(167)143-93-55-59-95(60-56-93)151-152-96-61-57-94(58-62-96)144-110(168)76-194-74-100-132(184)160(40)106(68-82(15)16)134(186)162(42)108(70-84(19)20)136(188)164(44)116(88(27)28)140(192)166(46)118(120(172)90(30)54-52-48-2)128(180)146-98(50-4)130(182)154(34)72-112(170)156(36)102(64-78(7)8)126(178)150-114(86(23)24)138(190)158(38)104(66-80(11)12)124(176)142-92(32)122(174)148-100/h47-48,51-52,55-62,77-92,97-108,113-120,171-172H,49-50,53-54,63-76H2,1-46H3,(H,141,175)(H,142,176)(H,143,167)(H,144,168)(H,145,179)(H,146,180)(H,147,173)(H,148,174)(H,149,177)(H,150,178)/b51-47+,52-48+,152-151-/t89-,90-,91+,92+,97+,98+,99-,100-,101+,102+,103+,104+,105+,106+,107+,108+,113+,114+,115+,116+,117+,118+,119-,120-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 266 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin 18 assessed as reduction in calcineurin activity by protease coupled assay |
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 | |
Protein phosphatase 3 catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50323713
((E/Z)-(R,S,S,S,S,S,R,R,S,S,S,S)-N,N'-(4,4'-(diazen...)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](COCC(=O)Nc2ccc(cc2)\N=N\c2ccc(NC(=O)COC[C@H]3NC(=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)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)C3=O)C(C)C)cc2)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/C140H234N26O28/c1-47-51-53-89(29)119(171)117-127(179)145-97(49-3)129(181)153(33)71-111(169)155(35)101(63-77(5)6)125(177)149-113(85(21)22)137(189)157(37)103(65-79(9)10)123(175)141-91(31)121(173)147-99(131(183)159(39)105(67-81(13)14)133(185)161(41)107(69-83(17)18)135(187)163(43)115(87(25)26)139(191)165(117)45)73-193-75-109(167)143-93-55-59-95(60-56-93)151-152-96-61-57-94(58-62-96)144-110(168)76-194-74-100-132(184)160(40)106(68-82(15)16)134(186)162(42)108(70-84(19)20)136(188)164(44)116(88(27)28)140(192)166(46)118(120(172)90(30)54-52-48-2)128(180)146-98(50-4)130(182)154(34)72-112(170)156(36)102(64-78(7)8)126(178)150-114(86(23)24)138(190)158(38)104(66-80(11)12)124(176)142-92(32)122(174)148-100/h47-48,51-52,55-62,77-92,97-108,113-120,171-172H,49-50,53-54,63-76H2,1-46H3,(H,141,175)(H,142,176)(H,143,167)(H,144,168)(H,145,179)(H,146,180)(H,147,173)(H,148,174)(H,149,177)(H,150,178)/b51-47+,52-48+,152-151+/t89-,90-,91+,92+,97+,98+,99-,100-,101+,102+,103+,104+,105+,106+,107+,108+,113+,114+,115+,116+,117+,118+,119-,120-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 358 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of calcineurin-mediated NFAT activation in human Jurkat cells by luciferase reporter gene assay |
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 | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50323713
((E/Z)-(R,S,S,S,S,S,R,R,S,S,S,S)-N,N'-(4,4'-(diazen...)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](COCC(=O)Nc2ccc(cc2)\N=N\c2ccc(NC(=O)COC[C@H]3NC(=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)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)C3=O)C(C)C)cc2)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/C140H234N26O28/c1-47-51-53-89(29)119(171)117-127(179)145-97(49-3)129(181)153(33)71-111(169)155(35)101(63-77(5)6)125(177)149-113(85(21)22)137(189)157(37)103(65-79(9)10)123(175)141-91(31)121(173)147-99(131(183)159(39)105(67-81(13)14)133(185)161(41)107(69-83(17)18)135(187)163(43)115(87(25)26)139(191)165(117)45)73-193-75-109(167)143-93-55-59-95(60-56-93)151-152-96-61-57-94(58-62-96)144-110(168)76-194-74-100-132(184)160(40)106(68-82(15)16)134(186)162(42)108(70-84(19)20)136(188)164(44)116(88(27)28)140(192)166(46)118(120(172)90(30)54-52-48-2)128(180)146-98(50-4)130(182)154(34)72-112(170)156(36)102(64-78(7)8)126(178)150-114(86(23)24)138(190)158(38)104(66-80(11)12)124(176)142-92(32)122(174)148-100/h47-48,51-52,55-62,77-92,97-108,113-120,171-172H,49-50,53-54,63-76H2,1-46H3,(H,141,175)(H,142,176)(H,143,167)(H,144,168)(H,145,179)(H,146,180)(H,147,173)(H,148,174)(H,149,177)(H,150,178)/b51-47+,52-48+,152-151+/t89-,90-,91+,92+,97+,98+,99-,100-,101+,102+,103+,104+,105+,106+,107+,108+,113+,114+,115+,116+,117+,118+,119-,120-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 487 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin 18 assessed as reduction in calcineurin activity by protease coupled assay |
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 | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50323714
(CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(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](COCC(=O)Nc2ccc(cc2)N=Nc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)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,w:59.60| Show InChI InChI=1S/C86H137N17O16S/c1-24-26-29-54(15)75(107)74-79(111)90-60(25-2)80(112)97(17)44-70(106)98(18)63(40-48(3)4)78(110)93-71(52(11)12)84(116)99(19)64(41-49(5)6)77(109)87-55(16)76(108)91-61(81(113)100(20)65(42-50(7)8)82(114)101(21)66(43-51(9)10)83(115)102(22)73(53(13)14)85(117)103(74)23)45-119-46-69(105)89-57-34-38-59(39-35-57)96-95-58-36-32-56(33-37-58)88-68(104)31-28-27-30-67-72-62(47-120-67)92-86(118)94-72/h24,26,32-39,48-55,60-67,71-75,107H,25,27-31,40-47H2,1-23H3,(H,87,109)(H,88,104)(H,89,105)(H,90,111)(H,91,108)(H,93,110)(H2,92,94,118)/b26-24+,96-95?/t54-,55+,60+,61-,62+,63+,64+,65+,66+,67+,71+,72+,73+,74+,75-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin 18 assessed as reduction in [33P]phosphatase activity of calcineurin by protease coupled assay |
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 | |
Protein phosphatase 3 catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50323714
(CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(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](COCC(=O)Nc2ccc(cc2)N=Nc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)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,w:59.60| Show InChI InChI=1S/C86H137N17O16S/c1-24-26-29-54(15)75(107)74-79(111)90-60(25-2)80(112)97(17)44-70(106)98(18)63(40-48(3)4)78(110)93-71(52(11)12)84(116)99(19)64(41-49(5)6)77(109)87-55(16)76(108)91-61(81(113)100(20)65(42-50(7)8)82(114)101(21)66(43-51(9)10)83(115)102(22)73(53(13)14)85(117)103(74)23)45-119-46-69(105)89-57-34-38-59(39-35-57)96-95-58-36-32-56(33-37-58)88-68(104)31-28-27-30-67-72-62(47-120-67)92-86(118)94-72/h24,26,32-39,48-55,60-67,71-75,107H,25,27-31,40-47H2,1-23H3,(H,87,109)(H,88,104)(H,89,105)(H,90,111)(H,91,108)(H,93,110)(H2,92,94,118)/b26-24+,96-95?/t54-,55+,60+,61-,62+,63+,64+,65+,66+,67+,71+,72+,73+,74+,75-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of calcineurin-mediated streptavidin-coupled NFAT activation in human Jurkat cells measured after 45 min of irradiation with 740 nm light ... |
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 | |
Protein phosphatase 3 catalytic subunit alpha
(Homo sapiens (Human)) | BDBM50323714
(CHEMBL1213206 | CHEMBL1213210 | N-(4-((Z)-(4-(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](COCC(=O)Nc2ccc(cc2)N=Nc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cc2)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,w:59.60| Show InChI InChI=1S/C86H137N17O16S/c1-24-26-29-54(15)75(107)74-79(111)90-60(25-2)80(112)97(17)44-70(106)98(18)63(40-48(3)4)78(110)93-71(52(11)12)84(116)99(19)64(41-49(5)6)77(109)87-55(16)76(108)91-61(81(113)100(20)65(42-50(7)8)82(114)101(21)66(43-51(9)10)83(115)102(22)73(53(13)14)85(117)103(74)23)45-119-46-69(105)89-57-34-38-59(39-35-57)96-95-58-36-32-56(33-37-58)88-68(104)31-28-27-30-67-72-62(47-120-67)92-86(118)94-72/h24,26,32-39,48-55,60-67,71-75,107H,25,27-31,40-47H2,1-23H3,(H,87,109)(H,88,104)(H,89,105)(H,90,111)(H,91,108)(H,93,110)(H2,92,94,118)/b26-24+,96-95?/t54-,55+,60+,61-,62+,63+,64+,65+,66+,67+,71+,72+,73+,74+,75-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.64E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of calcineurin-mediated streptavidin-coupled NFAT activation in human Jurkat cells by luciferase reporter gene assay |
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 | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50022815
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/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 | |
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