Found 3 hits in this display 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)) | BDBM286564
(US9566312, Compound 2.8.3)Show SMILES CC[C@H](NC(=O)C([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](NC)[C@H](C)COCCN(C)CC(F)(F)F)C(C)C)C(=O)N(C)[C@H](C)C(C)=O |r| Show InChI InChI=1S/C68H123F3N12O13/c1-27-29-30-43(13)57(85)56(61(89)75-49(28-2)63(91)78(21)47(17)48(18)84)83(26)67(95)55(42(11)12)82(25)65(93)52(35-40(7)8)81(24)64(92)51(34-39(5)6)80(23)62(90)46(16)74-58(86)45(15)73-59(87)50(33-38(3)4)79(22)66(94)53(41(9)10)76-60(88)54(72-19)44(14)36-96-32-31-77(20)37-68(69,70)71/h27,29,38-47,49-57,72,85H,28,30-37H2,1-26H3,(H,73,87)(H,74,86)(H,75,89)(H,76,88)/b29-27+/t43-,44-,45+,46-,47-,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 | 4.40 | 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 F, mitochondrial
(Homo sapiens (Human)) | BDBM286564
(US9566312, Compound 2.8.3)Show SMILES CC[C@H](NC(=O)C([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](NC)[C@H](C)COCCN(C)CC(F)(F)F)C(C)C)C(=O)N(C)[C@H](C)C(C)=O |r| Show InChI InChI=1S/C68H123F3N12O13/c1-27-29-30-43(13)57(85)56(61(89)75-49(28-2)63(91)78(21)47(17)48(18)84)83(26)67(95)55(42(11)12)82(25)65(93)52(35-40(7)8)81(24)64(92)51(34-39(5)6)80(23)62(90)46(16)74-58(86)45(15)73-59(87)50(33-38(3)4)79(22)66(94)53(41(9)10)76-60(88)54(72-19)44(14)36-96-32-31-77(20)37-68(69,70)71/h27,29,38-47,49-57,72,85H,28,30-37H2,1-26H3,(H,73,87)(H,74,86)(H,75,89)(H,76,88)/b29-27+/t43-,44-,45+,46-,47-,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 | 4.10 | 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)) | BDBM286564
(US9566312, Compound 2.8.3)Show SMILES CC[C@H](NC(=O)C([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](NC)[C@H](C)COCCN(C)CC(F)(F)F)C(C)C)C(=O)N(C)[C@H](C)C(C)=O |r| Show InChI InChI=1S/C68H123F3N12O13/c1-27-29-30-43(13)57(85)56(61(89)75-49(28-2)63(91)78(21)47(17)48(18)84)83(26)67(95)55(42(11)12)82(25)65(93)52(35-40(7)8)81(24)64(92)51(34-39(5)6)80(23)62(90)46(16)74-58(86)45(15)73-59(87)50(33-38(3)4)79(22)66(94)53(41(9)10)76-60(88)54(72-19)44(14)36-96-32-31-77(20)37-68(69,70)71/h27,29,38-47,49-57,72,85H,28,30-37H2,1-26H3,(H,73,87)(H,74,86)(H,75,89)(H,76,88)/b29-27+/t43-,44-,45+,46-,47-,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 | 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 | |