Found 321 hits Enz. Inhib. hit(s) with all data for entry = 680 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)) | BDBM50030554
(CHEMBL3344494 | US9566312, Compound 2.1)Show SMILES [H][C@@]1([C@H](C)COC)N(C)C(=O)[C@@H](C)N(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 |r| Show InChI InChI=1S/C63H113N11O13/c1-26-28-29-39(13)52(75)51-56(79)66-44(27-2)59(82)68(18)43(17)58(81)73(23)50(40(14)33-87-25)55(78)67-48(37(9)10)62(85)69(19)45(30-34(3)4)54(77)64-41(15)53(76)65-42(16)57(80)70(20)46(31-35(5)6)60(83)71(21)47(32-36(7)8)61(84)72(22)49(38(11)12)63(86)74(51)24/h26,28,34-52,75H,27,29-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b28-26+/t39-,40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 2.05 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50030554
(CHEMBL3344494 | US9566312, Compound 2.1)Show SMILES [H][C@@]1([C@H](C)COC)N(C)C(=O)[C@@H](C)N(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 |r| Show InChI InChI=1S/C63H113N11O13/c1-26-28-29-39(13)52(75)51-56(79)66-44(27-2)59(82)68(18)43(17)58(81)73(23)50(40(14)33-87-25)55(78)67-48(37(9)10)62(85)69(19)45(30-34(3)4)54(77)64-41(15)53(76)65-42(16)57(80)70(20)46(31-35(5)6)60(83)71(21)47(32-36(7)8)61(84)72(22)49(38(11)12)63(86)74(51)24/h26,28,34-52,75H,27,29-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b28-26+/t39-,40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 1.45 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM50030554
(CHEMBL3344494 | US9566312, Compound 2.1)Show SMILES [H][C@@]1([C@H](C)COC)N(C)C(=O)[C@@H](C)N(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 |r| Show InChI InChI=1S/C63H113N11O13/c1-26-28-29-39(13)52(75)51-56(79)66-44(27-2)59(82)68(18)43(17)58(81)73(23)50(40(14)33-87-25)55(78)67-48(37(9)10)62(85)69(19)45(30-34(3)4)54(77)64-41(15)53(76)65-42(16)57(80)70(20)46(31-35(5)6)60(83)71(21)47(32-36(7)8)61(84)72(22)49(38(11)12)63(86)74(51)24/h26,28,34-52,75H,27,29-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b28-26+/t39-,40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM286505
(US9566312, Compound 2.2)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]([C@@H](C)COC)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H113N11O13/c1-26-28-29-39(13)52(75)51-56(79)66-44(27-2)59(82)68(18)43(17)58(81)73(23)50(40(14)33-87-25)55(78)67-48(37(9)10)62(85)69(19)45(30-34(3)4)54(77)64-41(15)53(76)65-42(16)57(80)70(20)46(31-35(5)6)60(83)71(21)47(32-36(7)8)61(84)72(22)49(38(11)12)63(86)74(51)24/h26,28,34-52,75H,27,29-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b28-26+/t39-,40+,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM286505
(US9566312, Compound 2.2)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]([C@@H](C)COC)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H113N11O13/c1-26-28-29-39(13)52(75)51-56(79)66-44(27-2)59(82)68(18)43(17)58(81)73(23)50(40(14)33-87-25)55(78)67-48(37(9)10)62(85)69(19)45(30-34(3)4)54(77)64-41(15)53(76)65-42(16)57(80)70(20)46(31-35(5)6)60(83)71(21)47(32-36(7)8)61(84)72(22)49(38(11)12)63(86)74(51)24/h26,28,34-52,75H,27,29-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b28-26+/t39-,40+,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM286505
(US9566312, Compound 2.2)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]([C@@H](C)COC)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H113N11O13/c1-26-28-29-39(13)52(75)51-56(79)66-44(27-2)59(82)68(18)43(17)58(81)73(23)50(40(14)33-87-25)55(78)67-48(37(9)10)62(85)69(19)45(30-34(3)4)54(77)64-41(15)53(76)65-42(16)57(80)70(20)46(31-35(5)6)60(83)71(21)47(32-36(7)8)61(84)72(22)49(38(11)12)63(86)74(51)24/h26,28,34-52,75H,27,29-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b28-26+/t39-,40+,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM286506
(US9566312, Compound 2.3)Show SMILES CCOC[C@@H](C)[C@@H]1N2CN([C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@H](O)[C@H](C)C\C=C\C)C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C2=O)C1=O |r| Show InChI InChI=1S/C64H113N11O13/c1-25-28-29-40(14)53(76)52-56(79)67-45(26-2)59(82)68(19)44(18)58(81)75-34-74(64(87)51(75)41(15)33-88-27-3)50(39(12)13)63(86)69(20)46(30-35(4)5)55(78)65-42(16)54(77)66-43(17)57(80)70(21)47(31-36(6)7)60(83)71(22)48(32-37(8)9)61(84)72(23)49(38(10)11)62(85)73(52)24/h25,28,35-53,76H,26-27,29-34H2,1-24H3,(H,65,78)(H,66,77)(H,67,79)/b28-25+/t40-,41-,42+,43-,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 12.7 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM286506
(US9566312, Compound 2.3)Show SMILES CCOC[C@@H](C)[C@@H]1N2CN([C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@H](O)[C@H](C)C\C=C\C)C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C2=O)C1=O |r| Show InChI InChI=1S/C64H113N11O13/c1-25-28-29-40(14)53(76)52-56(79)67-45(26-2)59(82)68(19)44(18)58(81)75-34-74(64(87)51(75)41(15)33-88-27-3)50(39(12)13)63(86)69(20)46(30-35(4)5)55(78)65-42(16)54(77)66-43(17)57(80)70(21)47(31-36(6)7)60(83)71(22)48(32-37(8)9)61(84)72(23)49(38(10)11)62(85)73(52)24/h25,28,35-53,76H,26-27,29-34H2,1-24H3,(H,65,78)(H,66,77)(H,67,79)/b28-25+/t40-,41-,42+,43-,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 5.20 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM286506
(US9566312, Compound 2.3)Show SMILES CCOC[C@@H](C)[C@@H]1N2CN([C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@H](O)[C@H](C)C\C=C\C)C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C2=O)C1=O |r| Show InChI InChI=1S/C64H113N11O13/c1-25-28-29-40(14)53(76)52-56(79)67-45(26-2)59(82)68(19)44(18)58(81)75-34-74(64(87)51(75)41(15)33-88-27-3)50(39(12)13)63(86)69(20)46(30-35(4)5)55(78)65-42(16)54(77)66-43(17)57(80)70(21)47(31-36(6)7)60(83)71(22)48(32-37(8)9)61(84)72(23)49(38(10)11)62(85)73(52)24/h25,28,35-53,76H,26-27,29-34H2,1-24H3,(H,65,78)(H,66,77)(H,67,79)/b28-25+/t40-,41-,42+,43-,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 5 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM286507
(US9566312, Compound 2.4)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)CS(C)(=O)=O)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H113N11O14S/c1-26-28-29-39(13)52(75)51-56(79)66-44(27-2)59(82)68(18)43(17)58(81)73(23)50(40(14)33-89(25,87)88)55(78)67-48(37(9)10)62(85)69(19)45(30-34(3)4)54(77)64-41(15)53(76)65-42(16)57(80)70(20)46(31-35(5)6)60(83)71(21)47(32-36(7)8)61(84)72(22)49(38(11)12)63(86)74(51)24/h26,28,34-52,75H,27,29-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b28-26+/t39-,40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM286507
(US9566312, Compound 2.4)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)CS(C)(=O)=O)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H113N11O14S/c1-26-28-29-39(13)52(75)51-56(79)66-44(27-2)59(82)68(18)43(17)58(81)73(23)50(40(14)33-89(25,87)88)55(78)67-48(37(9)10)62(85)69(19)45(30-34(3)4)54(77)64-41(15)53(76)65-42(16)57(80)70(20)46(31-35(5)6)60(83)71(21)47(32-36(7)8)61(84)72(22)49(38(11)12)63(86)74(51)24/h26,28,34-52,75H,27,29-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b28-26+/t39-,40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM286507
(US9566312, Compound 2.4)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)CS(C)(=O)=O)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H113N11O14S/c1-26-28-29-39(13)52(75)51-56(79)66-44(27-2)59(82)68(18)43(17)58(81)73(23)50(40(14)33-89(25,87)88)55(78)67-48(37(9)10)62(85)69(19)45(30-34(3)4)54(77)64-41(15)53(76)65-42(16)57(80)70(20)46(31-35(5)6)60(83)71(21)47(32-36(7)8)61(84)72(22)49(38(11)12)63(86)74(51)24/h26,28,34-52,75H,27,29-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b28-26+/t39-,40-,41+,42-,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM286508
(US9566312, Compound 2.5.1)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)CO)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O13/c1-25-27-28-38(13)51(75)50-55(79)65-43(26-2)58(82)67(18)42(17)57(81)72(23)49(39(14)32-74)54(78)66-47(36(9)10)61(85)68(19)44(29-33(3)4)53(77)63-40(15)52(76)64-41(16)56(80)69(20)45(30-34(5)6)59(83)70(21)46(31-35(7)8)60(84)71(22)48(37(11)12)62(86)73(50)24/h25,27,33-51,74-75H,26,28-32H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t38-,39-,40+,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 4.80 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM286508
(US9566312, Compound 2.5.1)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)CO)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O13/c1-25-27-28-38(13)51(75)50-55(79)65-43(26-2)58(82)67(18)42(17)57(81)72(23)49(39(14)32-74)54(78)66-47(36(9)10)61(85)68(19)44(29-33(3)4)53(77)63-40(15)52(76)64-41(16)56(80)69(20)45(30-34(5)6)59(83)70(21)46(31-35(7)8)60(84)71(22)48(37(11)12)62(86)73(50)24/h25,27,33-51,74-75H,26,28-32H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t38-,39-,40+,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 3.5 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM286508
(US9566312, Compound 2.5.1)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)CO)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O13/c1-25-27-28-38(13)51(75)50-55(79)65-43(26-2)58(82)67(18)42(17)57(81)72(23)49(39(14)32-74)54(78)66-47(36(9)10)61(85)68(19)44(29-33(3)4)53(77)63-40(15)52(76)64-41(16)56(80)69(20)45(30-34(5)6)59(83)70(21)46(31-35(7)8)60(84)71(22)48(37(11)12)62(86)73(50)24/h25,27,33-51,74-75H,26,28-32H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t38-,39-,40+,41-,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50030542
(CHEMBL3344495 | US9566312, Compound 2.5.2)Show SMILES [H][C@@]1([C@H](C)CN2CCOCC2)N(C)C(=O)[C@@H](C)N(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 |r| Show InChI InChI=1S/C66H118N12O13/c1-25-27-28-42(13)55(79)54-59(83)69-47(26-2)62(86)71(18)46(17)61(85)76(23)53(43(14)36-78-29-31-91-32-30-78)58(82)70-51(40(9)10)65(89)72(19)48(33-37(3)4)57(81)67-44(15)56(80)68-45(16)60(84)73(20)49(34-38(5)6)63(87)74(21)50(35-39(7)8)64(88)75(22)52(41(11)12)66(90)77(54)24/h25,27,37-55,79H,26,28-36H2,1-24H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b27-25+/t42-,43-,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 4.30 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50030542
(CHEMBL3344495 | US9566312, Compound 2.5.2)Show SMILES [H][C@@]1([C@H](C)CN2CCOCC2)N(C)C(=O)[C@@H](C)N(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 |r| Show InChI InChI=1S/C66H118N12O13/c1-25-27-28-42(13)55(79)54-59(83)69-47(26-2)62(86)71(18)46(17)61(85)76(23)53(43(14)36-78-29-31-91-32-30-78)58(82)70-51(40(9)10)65(89)72(19)48(33-37(3)4)57(81)67-44(15)56(80)68-45(16)60(84)73(20)49(34-38(5)6)63(87)74(21)50(35-39(7)8)64(88)75(22)52(41(11)12)66(90)77(54)24/h25,27,37-55,79H,26,28-36H2,1-24H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b27-25+/t42-,43-,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM50030542
(CHEMBL3344495 | US9566312, Compound 2.5.2)Show SMILES [H][C@@]1([C@H](C)CN2CCOCC2)N(C)C(=O)[C@@H](C)N(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 |r| Show InChI InChI=1S/C66H118N12O13/c1-25-27-28-42(13)55(79)54-59(83)69-47(26-2)62(86)71(18)46(17)61(85)76(23)53(43(14)36-78-29-31-91-32-30-78)58(82)70-51(40(9)10)65(89)72(19)48(33-37(3)4)57(81)67-44(15)56(80)68-45(16)60(84)73(20)49(34-38(5)6)63(87)74(21)50(35-39(7)8)64(88)75(22)52(41(11)12)66(90)77(54)24/h25,27,37-55,79H,26,28-36H2,1-24H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b27-25+/t42-,43-,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50030536
(CHEMBL3344498 | US9566312, Compound 2.5.3)Show SMILES [H][C@@]1([C@H](C)CN2CC3CCC(C2)O3)N(C)C(=O)[C@@H](C)N(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 |r| Show InChI InChI=1S/C68H120N12O13/c1-25-27-28-42(13)57(81)56-61(85)71-49(26-2)64(88)73(18)46(17)63(87)78(23)55(43(14)34-80-35-47-29-30-48(36-80)93-47)60(84)72-53(40(9)10)67(91)74(19)50(31-37(3)4)59(83)69-44(15)58(82)70-45(16)62(86)75(20)51(32-38(5)6)65(89)76(21)52(33-39(7)8)66(90)77(22)54(41(11)12)68(92)79(56)24/h25,27,37-57,81H,26,28-36H2,1-24H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b27-25+/t42-,43-,44+,45-,46-,47?,48?,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50030536
(CHEMBL3344498 | US9566312, Compound 2.5.3)Show SMILES [H][C@@]1([C@H](C)CN2CC3CCC(C2)O3)N(C)C(=O)[C@@H](C)N(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 |r| Show InChI InChI=1S/C68H120N12O13/c1-25-27-28-42(13)57(81)56-61(85)71-49(26-2)64(88)73(18)46(17)63(87)78(23)55(43(14)34-80-35-47-29-30-48(36-80)93-47)60(84)72-53(40(9)10)67(91)74(19)50(31-37(3)4)59(83)69-44(15)58(82)70-45(16)62(86)75(20)51(32-38(5)6)65(89)76(21)52(33-39(7)8)66(90)77(22)54(41(11)12)68(92)79(56)24/h25,27,37-57,81H,26,28-36H2,1-24H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b27-25+/t42-,43-,44+,45-,46-,47?,48?,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM50030536
(CHEMBL3344498 | US9566312, Compound 2.5.3)Show SMILES [H][C@@]1([C@H](C)CN2CC3CCC(C2)O3)N(C)C(=O)[C@@H](C)N(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 |r| Show InChI InChI=1S/C68H120N12O13/c1-25-27-28-42(13)57(81)56-61(85)71-49(26-2)64(88)73(18)46(17)63(87)78(23)55(43(14)34-80-35-47-29-30-48(36-80)93-47)60(84)72-53(40(9)10)67(91)74(19)50(31-37(3)4)59(83)69-44(15)58(82)70-45(16)62(86)75(20)51(32-38(5)6)65(89)76(21)52(33-39(7)8)66(90)77(22)54(41(11)12)68(92)79(56)24/h25,27,37-57,81H,26,28-36H2,1-24H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b27-25+/t42-,43-,44+,45-,46-,47?,48?,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM286524
(US9566312, Compound 2.5.5)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(CC2)S(C)(=O)=O)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H121N13O14S/c1-26-28-29-43(13)56(81)55-60(85)70-48(27-2)63(88)72(18)47(17)62(87)77(23)54(44(14)37-79-30-32-80(33-31-79)95(25,93)94)59(84)71-52(41(9)10)66(91)73(19)49(34-38(3)4)58(83)68-45(15)57(82)69-46(16)61(86)74(20)50(35-39(5)6)64(89)75(21)51(36-40(7)8)65(90)76(22)53(42(11)12)67(92)78(55)24/h26,28,38-56,81H,27,29-37H2,1-25H3,(H,68,83)(H,69,82)(H,70,85)(H,71,84)/b28-26+/t43-,44-,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM286524
(US9566312, Compound 2.5.5)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(CC2)S(C)(=O)=O)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H121N13O14S/c1-26-28-29-43(13)56(81)55-60(85)70-48(27-2)63(88)72(18)47(17)62(87)77(23)54(44(14)37-79-30-32-80(33-31-79)95(25,93)94)59(84)71-52(41(9)10)66(91)73(19)49(34-38(3)4)58(83)68-45(15)57(82)69-46(16)61(86)74(20)50(35-39(5)6)64(89)75(21)51(36-40(7)8)65(90)76(22)53(42(11)12)67(92)78(55)24/h26,28,38-56,81H,27,29-37H2,1-25H3,(H,68,83)(H,69,82)(H,70,85)(H,71,84)/b28-26+/t43-,44-,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM286524
(US9566312, Compound 2.5.5)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(CC2)S(C)(=O)=O)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H121N13O14S/c1-26-28-29-43(13)56(81)55-60(85)70-48(27-2)63(88)72(18)47(17)62(87)77(23)54(44(14)37-79-30-32-80(33-31-79)95(25,93)94)59(84)71-52(41(9)10)66(91)73(19)49(34-38(3)4)58(83)68-45(15)57(82)69-46(16)61(86)74(20)50(35-39(5)6)64(89)75(21)51(36-40(7)8)65(90)76(22)53(42(11)12)67(92)78(55)24/h26,28,38-56,81H,27,29-37H2,1-25H3,(H,68,83)(H,69,82)(H,70,85)(H,71,84)/b28-26+/t43-,44-,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM286525
(US9566312, Compound 2.5.6)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)CN2C[C@H](C)OC[C@@H]2C)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H122N12O13/c1-27-29-30-42(13)57(81)56-61(85)71-49(28-2)64(88)73(20)48(19)63(87)78(25)55(43(14)34-80-35-45(16)93-36-44(80)15)60(84)72-53(40(9)10)67(91)74(21)50(31-37(3)4)59(83)69-46(17)58(82)70-47(18)62(86)75(22)51(32-38(5)6)65(89)76(23)52(33-39(7)8)66(90)77(24)54(41(11)12)68(92)79(56)26/h27,29,37-57,81H,28,30-36H2,1-26H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b29-27+/t42-,43-,44+,45+,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM286525
(US9566312, Compound 2.5.6)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)CN2C[C@H](C)OC[C@@H]2C)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H122N12O13/c1-27-29-30-42(13)57(81)56-61(85)71-49(28-2)64(88)73(20)48(19)63(87)78(25)55(43(14)34-80-35-45(16)93-36-44(80)15)60(84)72-53(40(9)10)67(91)74(21)50(31-37(3)4)59(83)69-46(17)58(82)70-47(18)62(86)75(22)51(32-38(5)6)65(89)76(23)52(33-39(7)8)66(90)77(24)54(41(11)12)68(92)79(56)26/h27,29,37-57,81H,28,30-36H2,1-26H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b29-27+/t42-,43-,44+,45+,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM286526
(US9566312, Compound 2.5.7)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)COC(=O)N2CCOCC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H118N12O15/c1-25-27-28-42(13)55(80)54-59(84)70-47(26-2)62(87)72(18)46(17)61(86)77(23)53(43(14)36-94-67(92)79-29-31-93-32-30-79)58(83)71-51(40(9)10)65(90)73(19)48(33-37(3)4)57(82)68-44(15)56(81)69-45(16)60(85)74(20)49(34-38(5)6)63(88)75(21)50(35-39(7)8)64(89)76(22)52(41(11)12)66(91)78(54)24/h25,27,37-55,80H,26,28-36H2,1-24H3,(H,68,82)(H,69,81)(H,70,84)(H,71,83)/b27-25+/t42-,43-,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM286526
(US9566312, Compound 2.5.7)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)COC(=O)N2CCOCC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H118N12O15/c1-25-27-28-42(13)55(80)54-59(84)70-47(26-2)62(87)72(18)46(17)61(86)77(23)53(43(14)36-94-67(92)79-29-31-93-32-30-79)58(83)71-51(40(9)10)65(90)73(19)48(33-37(3)4)57(82)68-44(15)56(81)69-45(16)60(85)74(20)49(34-38(5)6)63(88)75(21)50(35-39(7)8)64(89)76(22)52(41(11)12)66(91)78(54)24/h25,27,37-55,80H,26,28-36H2,1-24H3,(H,68,82)(H,69,81)(H,70,84)(H,71,83)/b27-25+/t42-,43-,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM286526
(US9566312, Compound 2.5.7)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)COC(=O)N2CCOCC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H118N12O15/c1-25-27-28-42(13)55(80)54-59(84)70-47(26-2)62(87)72(18)46(17)61(86)77(23)53(43(14)36-94-67(92)79-29-31-93-32-30-79)58(83)71-51(40(9)10)65(90)73(19)48(33-37(3)4)57(82)68-44(15)56(81)69-45(16)60(85)74(20)49(34-38(5)6)63(88)75(21)50(35-39(7)8)64(89)76(22)52(41(11)12)66(91)78(54)24/h25,27,37-55,80H,26,28-36H2,1-24H3,(H,68,82)(H,69,81)(H,70,84)(H,71,83)/b27-25+/t42-,43-,44+,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM286527
(US9566312, Compound 2.5.8)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)COC(=O)N2CCC(O)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H120N12O15/c1-25-27-28-42(13)56(82)55-60(86)71-48(26-2)63(89)73(18)46(17)62(88)78(23)54(43(14)36-95-68(94)80-31-29-47(81)30-32-80)59(85)72-52(40(9)10)66(92)74(19)49(33-37(3)4)58(84)69-44(15)57(83)70-45(16)61(87)75(20)50(34-38(5)6)64(90)76(21)51(35-39(7)8)65(91)77(22)53(41(11)12)67(93)79(55)24/h25,27,37-56,81-82H,26,28-36H2,1-24H3,(H,69,84)(H,70,83)(H,71,86)(H,72,85)/b27-25+/t42-,43-,44+,45-,46-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM286527
(US9566312, Compound 2.5.8)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)COC(=O)N2CCC(O)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H120N12O15/c1-25-27-28-42(13)56(82)55-60(86)71-48(26-2)63(89)73(18)46(17)62(88)78(23)54(43(14)36-95-68(94)80-31-29-47(81)30-32-80)59(85)72-52(40(9)10)66(92)74(19)49(33-37(3)4)58(84)69-44(15)57(83)70-45(16)61(87)75(20)50(34-38(5)6)64(90)76(21)51(35-39(7)8)65(91)77(22)53(41(11)12)67(93)79(55)24/h25,27,37-56,81-82H,26,28-36H2,1-24H3,(H,69,84)(H,70,83)(H,71,86)(H,72,85)/b27-25+/t42-,43-,44+,45-,46-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM286527
(US9566312, Compound 2.5.8)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)COC(=O)N2CCC(O)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H120N12O15/c1-25-27-28-42(13)56(82)55-60(86)71-48(26-2)63(89)73(18)46(17)62(88)78(23)54(43(14)36-95-68(94)80-31-29-47(81)30-32-80)59(85)72-52(40(9)10)66(92)74(19)49(33-37(3)4)58(84)69-44(15)57(83)70-45(16)61(87)75(20)50(34-38(5)6)64(90)76(21)51(35-39(7)8)65(91)77(22)53(41(11)12)67(93)79(55)24/h25,27,37-56,81-82H,26,28-36H2,1-24H3,(H,69,84)(H,70,83)(H,71,86)(H,72,85)/b27-25+/t42-,43-,44+,45-,46-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM286528
(US9566312, Compound 2.5.9)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)COC(=O)N2CCN(C)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H121N13O14/c1-26-28-29-43(13)56(82)55-60(86)71-48(27-2)63(89)74(19)47(17)62(88)79(24)54(44(14)37-95-68(94)81-32-30-73(18)31-33-81)59(85)72-52(41(9)10)66(92)75(20)49(34-38(3)4)58(84)69-45(15)57(83)70-46(16)61(87)76(21)50(35-39(5)6)64(90)77(22)51(36-40(7)8)65(91)78(23)53(42(11)12)67(93)80(55)25/h26,28,38-56,82H,27,29-37H2,1-25H3,(H,69,84)(H,70,83)(H,71,86)(H,72,85)/b28-26+/t43-,44-,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM286528
(US9566312, Compound 2.5.9)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](C)COC(=O)N2CCN(C)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H121N13O14/c1-26-28-29-43(13)56(82)55-60(86)71-48(27-2)63(89)74(19)47(17)62(88)79(24)54(44(14)37-95-68(94)81-32-30-73(18)31-33-81)59(85)72-52(41(9)10)66(92)75(20)49(34-38(3)4)58(84)69-45(15)57(83)70-46(16)61(87)76(21)50(35-39(5)6)64(90)77(22)51(36-40(7)8)65(91)78(23)53(42(11)12)67(93)80(55)25/h26,28,38-56,82H,27,29-37H2,1-25H3,(H,69,84)(H,70,83)(H,71,86)(H,72,85)/b28-26+/t43-,44-,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM286529
(US9566312, Compound 2.5.10)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 |r| Show InChI InChI=1S/C69H125N13O13/c1-26-28-29-45(13)58(83)57-62(87)72-50(27-2)65(90)74(18)49(17)64(89)79(23)56(46(14)39-82-32-30-81(31-33-82)34-35-95-25)61(86)73-54(43(9)10)68(93)75(19)51(36-40(3)4)60(85)70-47(15)59(84)71-48(16)63(88)76(20)52(37-41(5)6)66(91)77(21)53(38-42(7)8)67(92)78(22)55(44(11)12)69(94)80(57)24/h26,28,40-58,83H,27,29-39H2,1-25H3,(H,70,85)(H,71,84)(H,72,87)(H,73,86)/b28-26+/t45-,46-,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM286529
(US9566312, Compound 2.5.10)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 |r| Show InChI InChI=1S/C69H125N13O13/c1-26-28-29-45(13)58(83)57-62(87)72-50(27-2)65(90)74(18)49(17)64(89)79(23)56(46(14)39-82-32-30-81(31-33-82)34-35-95-25)61(86)73-54(43(9)10)68(93)75(19)51(36-40(3)4)60(85)70-47(15)59(84)71-48(16)63(88)76(20)52(37-41(5)6)66(91)77(21)53(38-42(7)8)67(92)78(22)55(44(11)12)69(94)80(57)24/h26,28,40-58,83H,27,29-39H2,1-25H3,(H,70,85)(H,71,84)(H,72,87)(H,73,86)/b28-26+/t45-,46-,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM286529
(US9566312, Compound 2.5.10)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 |r| Show InChI InChI=1S/C69H125N13O13/c1-26-28-29-45(13)58(83)57-62(87)72-50(27-2)65(90)74(18)49(17)64(89)79(23)56(46(14)39-82-32-30-81(31-33-82)34-35-95-25)61(86)73-54(43(9)10)68(93)75(19)51(36-40(3)4)60(85)70-47(15)59(84)71-48(16)63(88)76(20)52(37-41(5)6)66(91)77(21)53(38-42(7)8)67(92)78(22)55(44(11)12)69(94)80(57)24/h26,28,40-58,83H,27,29-39H2,1-25H3,(H,70,85)(H,71,84)(H,72,87)(H,73,86)/b28-26+/t45-,46-,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM286530
(US9566312, Compound 2.5.11)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(CC2)C2COC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C69H123N13O13/c1-25-27-28-44(13)58(83)57-62(87)72-50(26-2)65(90)74(18)48(17)64(89)79(23)56(45(14)36-81-29-31-82(32-30-81)49-37-95-38-49)61(86)73-54(42(9)10)68(93)75(19)51(33-39(3)4)60(85)70-46(15)59(84)71-47(16)63(88)76(20)52(34-40(5)6)66(91)77(21)53(35-41(7)8)67(92)78(22)55(43(11)12)69(94)80(57)24/h25,27,39-58,83H,26,28-38H2,1-24H3,(H,70,85)(H,71,84)(H,72,87)(H,73,86)/b27-25+/t44-,45-,46+,47-,48-,50+,51+,52+,53+,54+,55+,56+,57+,58-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM286530
(US9566312, Compound 2.5.11)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(CC2)C2COC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C69H123N13O13/c1-25-27-28-44(13)58(83)57-62(87)72-50(26-2)65(90)74(18)48(17)64(89)79(23)56(45(14)36-81-29-31-82(32-30-81)49-37-95-38-49)61(86)73-54(42(9)10)68(93)75(19)51(33-39(3)4)60(85)70-46(15)59(84)71-47(16)63(88)76(20)52(34-40(5)6)66(91)77(21)53(35-41(7)8)67(92)78(22)55(43(11)12)69(94)80(57)24/h25,27,39-58,83H,26,28-38H2,1-24H3,(H,70,85)(H,71,84)(H,72,87)(H,73,86)/b27-25+/t44-,45-,46+,47-,48-,50+,51+,52+,53+,54+,55+,56+,57+,58-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1.20 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM286530
(US9566312, Compound 2.5.11)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(CC2)C2COC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C69H123N13O13/c1-25-27-28-44(13)58(83)57-62(87)72-50(26-2)65(90)74(18)48(17)64(89)79(23)56(45(14)36-81-29-31-82(32-30-81)49-37-95-38-49)61(86)73-54(42(9)10)68(93)75(19)51(33-39(3)4)60(85)70-46(15)59(84)71-47(16)63(88)76(20)52(34-40(5)6)66(91)77(21)53(35-41(7)8)67(92)78(22)55(43(11)12)69(94)80(57)24/h25,27,39-58,83H,26,28-38H2,1-24H3,(H,70,85)(H,71,84)(H,72,87)(H,73,86)/b27-25+/t44-,45-,46+,47-,48-,50+,51+,52+,53+,54+,55+,56+,57+,58-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM286531
(US9566312, Compound 2.5.12)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(CC2)C(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C69H125N13O12/c1-27-29-30-45(15)58(83)57-62(87)72-50(28-2)65(90)74(20)49(19)64(89)79(25)56(46(16)38-81-31-33-82(34-32-81)44(13)14)61(86)73-54(42(9)10)68(93)75(21)51(35-39(3)4)60(85)70-47(17)59(84)71-48(18)63(88)76(22)52(36-40(5)6)66(91)77(23)53(37-41(7)8)67(92)78(24)55(43(11)12)69(94)80(57)26/h27,29,39-58,83H,28,30-38H2,1-26H3,(H,70,85)(H,71,84)(H,72,87)(H,73,86)/b29-27+/t45-,46-,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM286531
(US9566312, Compound 2.5.12)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(CC2)C(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C69H125N13O12/c1-27-29-30-45(15)58(83)57-62(87)72-50(28-2)65(90)74(20)49(19)64(89)79(25)56(46(16)38-81-31-33-82(34-32-81)44(13)14)61(86)73-54(42(9)10)68(93)75(21)51(35-39(3)4)60(85)70-47(17)59(84)71-48(18)63(88)76(22)52(36-40(5)6)66(91)77(23)53(37-41(7)8)67(92)78(24)55(43(11)12)69(94)80(57)26/h27,29,39-58,83H,28,30-38H2,1-26H3,(H,70,85)(H,71,84)(H,72,87)(H,73,86)/b29-27+/t45-,46-,47+,48-,49-,50+,51+,52+,53+,54+,55+,56+,57+,58-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM286532
(US9566312, Compound 2.5.13)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(CC)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H123N13O12/c1-26-29-30-44(14)57(82)56-61(86)71-49(27-2)64(89)73(19)48(18)63(88)78(24)55(45(15)38-81-33-31-80(28-3)32-34-81)60(85)72-53(42(10)11)67(92)74(20)50(35-39(4)5)59(84)69-46(16)58(83)70-47(17)62(87)75(21)51(36-40(6)7)65(90)76(22)52(37-41(8)9)66(91)77(23)54(43(12)13)68(93)79(56)25/h26,29,39-57,82H,27-28,30-38H2,1-25H3,(H,69,84)(H,70,83)(H,71,86)(H,72,85)/b29-26+/t44-,45-,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM286532
(US9566312, Compound 2.5.13)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(CC)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H123N13O12/c1-26-29-30-44(14)57(82)56-61(86)71-49(27-2)64(89)73(19)48(18)63(88)78(24)55(45(15)38-81-33-31-80(28-3)32-34-81)60(85)72-53(42(10)11)67(92)74(20)50(35-39(4)5)59(84)69-46(16)58(83)70-47(17)62(87)75(21)51(36-40(6)7)65(90)76(22)52(37-41(8)9)66(91)77(23)54(43(12)13)68(93)79(56)25/h26,29,39-57,82H,27-28,30-38H2,1-25H3,(H,69,84)(H,70,83)(H,71,86)(H,72,85)/b29-26+/t44-,45-,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM286532
(US9566312, Compound 2.5.13)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(CC)CC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H123N13O12/c1-26-29-30-44(14)57(82)56-61(86)71-49(27-2)64(89)73(19)48(18)63(88)78(24)55(45(15)38-81-33-31-80(28-3)32-34-81)60(85)72-53(42(10)11)67(92)74(20)50(35-39(4)5)59(84)69-46(16)58(83)70-47(17)62(87)75(21)51(36-40(6)7)65(90)76(22)52(37-41(8)9)66(91)77(23)54(43(12)13)68(93)79(56)25/h26,29,39-57,82H,27-28,30-38H2,1-25H3,(H,69,84)(H,70,83)(H,71,86)(H,72,85)/b29-26+/t44-,45-,46+,47-,48-,49+,50+,51+,52+,53+,54+,55+,56+,57-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM286533
(US9566312, Compound 2.5.14 | US9566312, Compound 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]([C@H](C)CN2CCN(CC2)C2CCC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C70H125N13O12/c1-25-27-29-45(13)59(84)58-63(88)73-51(26-2)66(91)75(18)49(17)65(90)80(23)57(46(14)39-82-32-34-83(35-33-82)50-30-28-31-50)62(87)74-55(43(9)10)69(94)76(19)52(36-40(3)4)61(86)71-47(15)60(85)72-48(16)64(89)77(20)53(37-41(5)6)67(92)78(21)54(38-42(7)8)68(93)79(22)56(44(11)12)70(95)81(58)24/h25,27,40-59,84H,26,28-39H2,1-24H3,(H,71,86)(H,72,85)(H,73,88)(H,74,87)/b27-25+/t45-,46-,47+,48-,49-,51+,52+,53+,54+,55+,56+,57+,58+,59-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM286533
(US9566312, Compound 2.5.14 | US9566312, Compound 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]([C@H](C)CN2CCN(CC2)C2CCC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C70H125N13O12/c1-25-27-29-45(13)59(84)58-63(88)73-51(26-2)66(91)75(18)49(17)65(90)80(23)57(46(14)39-82-32-34-83(35-33-82)50-30-28-31-50)62(87)74-55(43(9)10)69(94)76(19)52(36-40(3)4)61(86)71-47(15)60(85)72-48(16)64(89)77(20)53(37-41(5)6)67(92)78(21)54(38-42(7)8)68(93)79(22)56(44(11)12)70(95)81(58)24/h25,27,40-59,84H,26,28-39H2,1-24H3,(H,71,86)(H,72,85)(H,73,88)(H,74,87)/b27-25+/t45-,46-,47+,48-,49-,51+,52+,53+,54+,55+,56+,57+,58+,59-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM286533
(US9566312, Compound 2.5.14 | US9566312, Compound 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]([C@H](C)CN2CCN(CC2)C2CCC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C70H125N13O12/c1-25-27-29-45(13)59(84)58-63(88)73-51(26-2)66(91)75(18)49(17)65(90)80(23)57(46(14)39-82-32-34-83(35-33-82)50-30-28-31-50)62(87)74-55(43(9)10)69(94)76(19)52(36-40(3)4)61(86)71-47(15)60(85)72-48(16)64(89)77(20)53(37-41(5)6)67(92)78(21)54(38-42(7)8)68(93)79(22)56(44(11)12)70(95)81(58)24/h25,27,40-59,84H,26,28-39H2,1-24H3,(H,71,86)(H,72,85)(H,73,88)(H,74,87)/b27-25+/t45-,46-,47+,48-,49-,51+,52+,53+,54+,55+,56+,57+,58+,59-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM286533
(US9566312, Compound 2.5.14 | US9566312, Compound 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]([C@H](C)CN2CCN(CC2)C2CCC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C70H125N13O12/c1-25-27-29-45(13)59(84)58-63(88)73-51(26-2)66(91)75(18)49(17)65(90)80(23)57(46(14)39-82-32-34-83(35-33-82)50-30-28-31-50)62(87)74-55(43(9)10)69(94)76(19)52(36-40(3)4)61(86)71-47(15)60(85)72-48(16)64(89)77(20)53(37-41(5)6)67(92)78(21)54(38-42(7)8)68(93)79(22)56(44(11)12)70(95)81(58)24/h25,27,40-59,84H,26,28-39H2,1-24H3,(H,71,86)(H,72,85)(H,73,88)(H,74,87)/b27-25+/t45-,46-,47+,48-,49-,51+,52+,53+,54+,55+,56+,57+,58+,59-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase F, mitochondrial
(Homo sapiens (Human)) | BDBM286533
(US9566312, Compound 2.5.14 | US9566312, Compound 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]([C@H](C)CN2CCN(CC2)C2CCC2)N(C)C(=O)[C@@H](C)N(C)C1=O)C(C)C |r| Show InChI InChI=1S/C70H125N13O12/c1-25-27-29-45(13)59(84)58-63(88)73-51(26-2)66(91)75(18)49(17)65(90)80(23)57(46(14)39-82-32-34-83(35-33-82)50-30-28-31-50)62(87)74-55(43(9)10)69(94)76(19)52(36-40(3)4)61(86)71-47(15)60(85)72-48(16)64(89)77(20)53(37-41(5)6)67(92)78(21)54(38-42(7)8)68(93)79(22)56(44(11)12)70(95)81(58)24/h25,27,40-59,84H,26,28-39H2,1-24H3,(H,71,86)(H,72,85)(H,73,88)(H,74,87)/b27-25+/t45-,46-,47+,48-,49-,51+,52+,53+,54+,55+,56+,57+,58+,59-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | 7.4 | n/a |
Novartis AG
US Patent
| Assay Description
Binding of inhibitors to expressed cyclophilins was determined using surface plasmon resonance (SPR) experiments. Briefly, avi-tagged cyclophilin pro... |
US Patent US9566312 (2017)
BindingDB Entry DOI: 10.7270/Q2K939J1 |
More data for this
Ligand-Target Pair | |
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