Found 38 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)) | 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
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136490
(CHEMBL3038087 | Cyclosporin A analogue)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)[C@@H](SC)N(C)C1=O)C(C)C Show InChI InChI=1S/C63H113N11O12S/c1-26-28-29-40(15)51(75)50-55(79)66-43(27-2)57(81)74(24)63(87-25)62(86)69(19)45(31-35(5)6)54(78)67-48(38(11)12)60(84)68(18)44(30-34(3)4)53(77)64-41(16)52(76)65-42(17)56(80)70(20)46(32-36(7)8)58(82)71(21)47(33-37(9)10)59(83)72(22)49(39(13)14)61(85)73(50)23/h26,28,34-51,63,75H,27,29-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b28-26+/t40-,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-,63-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136490
(CHEMBL3038087 | Cyclosporin A analogue)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)[C@@H](SC)N(C)C1=O)C(C)C Show InChI InChI=1S/C63H113N11O12S/c1-26-28-29-40(15)51(75)50-55(79)66-43(27-2)57(81)74(24)63(87-25)62(86)69(19)45(31-35(5)6)54(78)67-48(38(11)12)60(84)68(18)44(30-34(3)4)53(77)64-41(16)52(76)65-42(17)56(80)70(20)46(32-36(7)8)58(82)71(21)47(33-37(9)10)59(83)72(22)49(39(13)14)61(85)73(50)23/h26,28,34-51,63,75H,27,29-33H2,1-25H3,(H,64,77)(H,65,76)(H,66,79)(H,67,78)/b28-26+/t40-,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-,63-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136484
(CHEMBL2407581 | Cyclosporin A analogue)Show SMILES [H][C@@]1([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)[C@@H](SCCN(CC)CC)N(C)C(=O)[C@H](CC)NC1=O)C(C)C |r| Show InChI InChI=1S/C68H124N12O12S/c1-27-31-32-45(17)56(81)55-60(85)71-48(28-2)62(87)79(26)68(93-34-33-80(29-3)30-4)67(92)74(21)50(36-40(7)8)59(84)72-53(43(13)14)65(90)73(20)49(35-39(5)6)58(83)69-46(18)57(82)70-47(19)61(86)75(22)51(37-41(9)10)63(88)76(23)52(38-42(11)12)64(89)77(24)54(44(15)16)66(91)78(55)25/h27,31,39-56,68,81H,28-30,32-38H2,1-26H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b31-27+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,68-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136484
(CHEMBL2407581 | Cyclosporin A analogue)Show SMILES [H][C@@]1([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)[C@@H](SCCN(CC)CC)N(C)C(=O)[C@H](CC)NC1=O)C(C)C |r| Show InChI InChI=1S/C68H124N12O12S/c1-27-31-32-45(17)56(81)55-60(85)71-48(28-2)62(87)79(26)68(93-34-33-80(29-3)30-4)67(92)74(21)50(36-40(7)8)59(84)72-53(43(13)14)65(90)73(20)49(35-39(5)6)58(83)69-46(18)57(82)70-47(19)61(86)75(22)51(37-41(9)10)63(88)76(23)52(38-42(11)12)64(89)77(24)54(44(15)16)66(91)78(55)25/h27,31,39-56,68,81H,28-30,32-38H2,1-26H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b31-27+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,68-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136476
(CHEMBL3038089 | Cyclosporin A analogue)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)[C@@H](SCCO)N(C)C1=O)C(C)C Show InChI InChI=1S/C64H115N11O13S/c1-25-27-28-41(15)52(77)51-56(81)67-44(26-2)58(83)75(24)64(89-30-29-76)63(88)70(19)46(32-36(5)6)55(80)68-49(39(11)12)61(86)69(18)45(31-35(3)4)54(79)65-42(16)53(78)66-43(17)57(82)71(20)47(33-37(7)8)59(84)72(21)48(34-38(9)10)60(85)73(22)50(40(13)14)62(87)74(51)23/h25,27,35-52,64,76-77H,26,28-34H2,1-24H3,(H,65,79)(H,66,78)(H,67,81)(H,68,80)/b27-25+/t41-,42+,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-,64-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136476
(CHEMBL3038089 | Cyclosporin A analogue)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)[C@@H](SCCO)N(C)C1=O)C(C)C Show InChI InChI=1S/C64H115N11O13S/c1-25-27-28-41(15)52(77)51-56(81)67-44(26-2)58(83)75(24)64(89-30-29-76)63(88)70(19)46(32-36(5)6)55(80)68-49(39(11)12)61(86)69(18)45(31-35(3)4)54(79)65-42(16)53(78)66-43(17)57(82)71(20)47(33-37(7)8)59(84)72(21)48(34-38(9)10)60(85)73(22)50(40(13)14)62(87)74(51)23/h25,27,35-52,64,76-77H,26,28-34H2,1-24H3,(H,65,79)(H,66,78)(H,67,81)(H,68,80)/b27-25+/t41-,42+,43-,44+,45+,46+,47+,48+,49+,50+,51+,52-,64-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136472
(CHEMBL3038082 | [(40-OH) MeLeu]4-CsA derivatives)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SCCN2CCCCC2)N(C)C1=O)C(C)C Show InChI InChI=1S/C69H124N12O13S/c1-25-27-31-45(13)56(82)55-60(86)72-48(26-2)62(88)80(24)68(95-35-34-81-32-29-28-30-33-81)67(93)77(21)52(39-69(16,17)94)59(85)73-53(43(9)10)65(91)74(18)49(36-40(3)4)58(84)70-46(14)57(83)71-47(15)61(87)75(19)50(37-41(5)6)63(89)76(20)51(38-42(7)8)64(90)78(22)54(44(11)12)66(92)79(55)23/h25,27,40-56,68,82,94H,26,28-39H2,1-24H3,(H,70,84)(H,71,83)(H,72,86)(H,73,85)/b27-25+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,68-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136479
(CHEMBL3038084 | Cyclosporin A analogue)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)[C@@H](SCCN(C)C(C)C)N(C)C1=O)C(C)C Show InChI InChI=1S/C68H124N12O12S/c1-28-30-31-45(17)56(81)55-60(85)71-48(29-2)62(87)80(27)68(93-33-32-73(20)44(15)16)67(92)75(22)50(35-39(5)6)59(84)72-53(42(11)12)65(90)74(21)49(34-38(3)4)58(83)69-46(18)57(82)70-47(19)61(86)76(23)51(36-40(7)8)63(88)77(24)52(37-41(9)10)64(89)78(25)54(43(13)14)66(91)79(55)26/h28,30,38-56,68,81H,29,31-37H2,1-27H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b30-28+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,68-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136472
(CHEMBL3038082 | [(40-OH) MeLeu]4-CsA derivatives)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SCCN2CCCCC2)N(C)C1=O)C(C)C Show InChI InChI=1S/C69H124N12O13S/c1-25-27-31-45(13)56(82)55-60(86)72-48(26-2)62(88)80(24)68(95-35-34-81-32-29-28-30-33-81)67(93)77(21)52(39-69(16,17)94)59(85)73-53(43(9)10)65(91)74(18)49(36-40(3)4)58(84)70-46(14)57(83)71-47(15)61(87)75(19)50(37-41(5)6)63(89)76(20)51(38-42(7)8)64(90)78(22)54(44(11)12)66(92)79(55)23/h25,27,40-56,68,82,94H,26,28-39H2,1-24H3,(H,70,84)(H,71,83)(H,72,86)(H,73,85)/b27-25+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,68-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136479
(CHEMBL3038084 | Cyclosporin A analogue)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)[C@@H](SCCN(C)C(C)C)N(C)C1=O)C(C)C Show InChI InChI=1S/C68H124N12O12S/c1-28-30-31-45(17)56(81)55-60(85)71-48(29-2)62(87)80(27)68(93-33-32-73(20)44(15)16)67(92)75(22)50(35-39(5)6)59(84)72-53(42(11)12)65(90)74(21)49(34-38(3)4)58(83)69-46(18)57(82)70-47(19)61(86)76(23)51(36-40(7)8)63(88)77(24)52(37-41(9)10)64(89)78(25)54(43(13)14)66(91)79(55)26/h28,30,38-56,68,81H,29,31-37H2,1-27H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b30-28+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,68-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136485
(CHEMBL3038085 | Cyclosporin A analogue)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)[C@@H](SCCN(C)C(C)(C)C)N(C)C1=O)C(C)C Show InChI InChI=1S/C69H126N12O12S/c1-29-31-32-45(15)56(82)55-60(86)72-48(30-2)62(88)81(28)68(94-34-33-74(21)69(18,19)20)67(93)76(23)50(36-40(5)6)59(85)73-53(43(11)12)65(91)75(22)49(35-39(3)4)58(84)70-46(16)57(83)71-47(17)61(87)77(24)51(37-41(7)8)63(89)78(25)52(38-42(9)10)64(90)79(26)54(44(13)14)66(92)80(55)27/h29,31,39-56,68,82H,30,32-38H2,1-28H3,(H,70,84)(H,71,83)(H,72,86)(H,73,85)/b31-29+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,68-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136485
(CHEMBL3038085 | Cyclosporin A analogue)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)[C@@H](SCCN(C)C(C)(C)C)N(C)C1=O)C(C)C Show InChI InChI=1S/C69H126N12O12S/c1-29-31-32-45(15)56(82)55-60(86)72-48(30-2)62(88)81(28)68(94-34-33-74(21)69(18,19)20)67(93)76(23)50(36-40(5)6)59(85)73-53(43(11)12)65(91)75(22)49(35-39(3)4)58(84)70-46(16)57(83)71-47(17)61(87)77(24)51(37-41(7)8)63(89)78(25)52(38-42(9)10)64(90)79(26)54(44(13)14)66(92)80(55)27/h29,31,39-56,68,82H,30,32-38H2,1-28H3,(H,70,84)(H,71,83)(H,72,86)(H,73,85)/b31-29+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,68-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136483
(CHEMBL3038083 | [(40-OH) MeLeu]4-CsA derivatives)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SCCN(C)C(C)(C)C)N(C)C1=O)C(C)C Show InChI InChI=1S/C69H126N12O13S/c1-29-31-32-44(13)55(82)54-59(86)72-47(30-2)61(88)81(28)67(95-34-33-74(21)68(16,17)18)66(93)78(25)51(38-69(19,20)94)58(85)73-52(42(9)10)64(91)75(22)48(35-39(3)4)57(84)70-45(14)56(83)71-46(15)60(87)76(23)49(36-40(5)6)62(89)77(24)50(37-41(7)8)63(90)79(26)53(43(11)12)65(92)80(54)27/h29,31,39-55,67,82,94H,30,32-38H2,1-28H3,(H,70,84)(H,71,83)(H,72,86)(H,73,85)/b31-29+/t44-,45+,46-,47+,48+,49+,50+,51+,52+,53+,54+,55-,67-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136483
(CHEMBL3038083 | [(40-OH) MeLeu]4-CsA derivatives)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SCCN(C)C(C)(C)C)N(C)C1=O)C(C)C Show InChI InChI=1S/C69H126N12O13S/c1-29-31-32-44(13)55(82)54-59(86)72-47(30-2)61(88)81(28)67(95-34-33-74(21)68(16,17)18)66(93)78(25)51(38-69(19,20)94)58(85)73-52(42(9)10)64(91)75(22)48(35-39(3)4)57(84)70-45(14)56(83)71-46(15)60(87)76(23)49(36-40(5)6)62(89)77(24)50(37-41(7)8)63(90)79(26)53(43(11)12)65(92)80(54)27/h29,31,39-55,67,82,94H,30,32-38H2,1-28H3,(H,70,84)(H,71,83)(H,72,86)(H,73,85)/b31-29+/t44-,45+,46-,47+,48+,49+,50+,51+,52+,53+,54+,55-,67-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136480
(CHEMBL3038081 | Cyclosporin A analogue)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)[C@@H](SCCN(C)C)N(C)C1=O)C(C)C Show InChI InChI=1S/C66H120N12O12S/c1-27-29-30-43(15)54(79)53-58(83)69-46(28-2)60(85)78(26)66(91-32-31-71(18)19)65(90)73(21)48(34-38(5)6)57(82)70-51(41(11)12)63(88)72(20)47(33-37(3)4)56(81)67-44(16)55(80)68-45(17)59(84)74(22)49(35-39(7)8)61(86)75(23)50(36-40(9)10)62(87)76(24)52(42(13)14)64(89)77(53)25/h27,29,37-54,66,79H,28,30-36H2,1-26H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b29-27+/t43-,44+,45-,46+,47+,48+,49+,50+,51+,52+,53+,54-,66-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136480
(CHEMBL3038081 | Cyclosporin A analogue)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)[C@@H](SCCN(C)C)N(C)C1=O)C(C)C Show InChI InChI=1S/C66H120N12O12S/c1-27-29-30-43(15)54(79)53-58(83)69-46(28-2)60(85)78(26)66(91-32-31-71(18)19)65(90)73(21)48(34-38(5)6)57(82)70-51(41(11)12)63(88)72(20)47(33-37(3)4)56(81)67-44(16)55(80)68-45(17)59(84)74(22)49(35-39(7)8)61(86)75(23)50(36-40(9)10)62(87)76(24)52(42(13)14)64(89)77(53)25/h27,29,37-54,66,79H,28,30-36H2,1-26H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b29-27+/t43-,44+,45-,46+,47+,48+,49+,50+,51+,52+,53+,54-,66-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136481
(CHEMBL3038088 | Cyclosporin A analogue)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)[C@@H](SCCN2CCCCC2)N(C)C1=O)C(C)C Show InChI InChI=1S/C69H124N12O12S/c1-25-27-31-46(15)57(82)56-61(86)72-49(26-2)63(88)80(24)69(94-35-34-81-32-29-28-30-33-81)68(93)75(19)51(37-41(5)6)60(85)73-54(44(11)12)66(91)74(18)50(36-40(3)4)59(84)70-47(16)58(83)71-48(17)62(87)76(20)52(38-42(7)8)64(89)77(21)53(39-43(9)10)65(90)78(22)55(45(13)14)67(92)79(56)23/h25,27,40-57,69,82H,26,28-39H2,1-24H3,(H,70,84)(H,71,83)(H,72,86)(H,73,85)/b27-25+/t46-,47+,48-,49+,50+,51+,52+,53+,54+,55+,56+,57-,69-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136481
(CHEMBL3038088 | Cyclosporin A analogue)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)[C@@H](SCCN2CCCCC2)N(C)C1=O)C(C)C Show InChI InChI=1S/C69H124N12O12S/c1-25-27-31-46(15)57(82)56-61(86)72-49(26-2)63(88)80(24)69(94-35-34-81-32-29-28-30-33-81)68(93)75(19)51(37-41(5)6)60(85)73-54(44(11)12)66(91)74(18)50(36-40(3)4)59(84)70-47(16)58(83)71-48(17)62(87)76(20)52(38-42(7)8)64(89)77(21)53(39-43(9)10)65(90)78(22)55(45(13)14)67(92)79(56)23/h25,27,40-57,69,82H,26,28-39H2,1-24H3,(H,70,84)(H,71,83)(H,72,86)(H,73,85)/b27-25+/t46-,47+,48-,49+,50+,51+,52+,53+,54+,55+,56+,57-,69-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136474
(CHEMBL3038092 | Cyclosporin A analogue)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)[C@@H](SCCn2ccnc2)N(C)C1=O)C(C)C Show InChI InChI=1S/C67H117N13O12S/c1-25-27-28-44(15)55(81)54-59(85)71-47(26-2)61(87)79(24)67(93-32-31-80-30-29-68-37-80)66(92)74(19)49(34-39(5)6)58(84)72-52(42(11)12)64(90)73(18)48(33-38(3)4)57(83)69-45(16)56(82)70-46(17)60(86)75(20)50(35-40(7)8)62(88)76(21)51(36-41(9)10)63(89)77(22)53(43(13)14)65(91)78(54)23/h25,27,29-30,37-55,67,81H,26,28,31-36H2,1-24H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b27-25+/t44-,45+,46-,47+,48+,49+,50+,51+,52+,53+,54+,55-,67-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 80.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136474
(CHEMBL3038092 | Cyclosporin A analogue)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)[C@@H](SCCn2ccnc2)N(C)C1=O)C(C)C Show InChI InChI=1S/C67H117N13O12S/c1-25-27-28-44(15)55(81)54-59(85)71-47(26-2)61(87)79(24)67(93-32-31-80-30-29-68-37-80)66(92)74(19)49(34-39(5)6)58(84)72-52(42(11)12)64(90)73(18)48(33-38(3)4)57(83)69-45(16)56(82)70-46(17)60(86)75(20)50(35-40(7)8)62(88)76(21)51(36-41(9)10)63(89)77(22)53(43(13)14)65(91)78(54)23/h25,27,29-30,37-55,67,81H,26,28,31-36H2,1-24H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b27-25+/t44-,45+,46-,47+,48+,49+,50+,51+,52+,53+,54+,55-,67-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136489
(CHEMBL2407585 | Cyclosporin A analogue)Show SMILES [H][C@@]1([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SC)N(C)C(=O)[C@H](CC)NC1=O)C(C)C |r| Show InChI InChI=1S/C63H113N11O13S/c1-26-28-29-39(13)50(75)49-54(79)66-42(27-2)56(81)74(24)62(88-25)61(86)71(21)46(33-63(16,17)87)53(78)67-47(37(9)10)59(84)68(18)43(30-34(3)4)52(77)64-40(14)51(76)65-41(15)55(80)69(19)44(31-35(5)6)57(82)70(20)45(32-36(7)8)58(83)72(22)48(38(11)12)60(85)73(49)23/h26,28,34-50,62,75,87H,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-,62-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136489
(CHEMBL2407585 | Cyclosporin A analogue)Show SMILES [H][C@@]1([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SC)N(C)C(=O)[C@H](CC)NC1=O)C(C)C |r| Show InChI InChI=1S/C63H113N11O13S/c1-26-28-29-39(13)50(75)49-54(79)66-42(27-2)56(81)74(24)62(88-25)61(86)71(21)46(33-63(16,17)87)53(78)67-47(37(9)10)59(84)68(18)43(30-34(3)4)52(77)64-40(14)51(76)65-41(15)55(80)69(19)44(31-35(5)6)57(82)70(20)45(32-36(7)8)58(83)72(22)48(38(11)12)60(85)73(49)23/h26,28,34-50,62,75,87H,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-,62-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136486
(CHEMBL405301 | [(D)MeSer]3-[(40-OH) MeLeu]4-Cyclos...)Show SMILES CC[C@@H]1NC(=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](CC(C)(C)O)N(C)C(=O)[C@@H](CO)N(C)C1=O)C(C)C Show InChI InChI=1S/C63H113N11O14/c1-25-27-28-39(13)51(76)50-55(80)66-42(26-2)57(82)72(22)47(33-75)60(85)71(21)46(32-63(16,17)88)54(79)67-48(37(9)10)61(86)68(18)43(29-34(3)4)53(78)64-40(14)52(77)65-41(15)56(81)69(19)44(30-35(5)6)58(83)70(20)45(31-36(7)8)59(84)73(23)49(38(11)12)62(87)74(50)24/h25,27,34-51,75-76,88H,26,28-33H2,1-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b27-25+/t39-,40+,41-,42+,43+,44+,45+,46+,47-,48+,49+,50?,51-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136482
(CHEMBL3038093 | Cyclosporin A analogue)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)[C@@H](SCCN2CCOCC2)N(C)C1=O)C(C)C Show InChI InChI=1S/C68H122N12O13S/c1-25-27-28-45(15)56(81)55-60(85)71-48(26-2)62(87)79(24)68(94-34-31-80-29-32-93-33-30-80)67(92)74(19)50(36-40(5)6)59(84)72-53(43(11)12)65(90)73(18)49(35-39(3)4)58(83)69-46(16)57(82)70-47(17)61(86)75(20)51(37-41(7)8)63(88)76(21)52(38-42(9)10)64(89)77(22)54(44(13)14)66(91)78(55)23/h25,27,39-56,68,81H,26,28-38H2,1-24H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b27-25+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,68-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136482
(CHEMBL3038093 | Cyclosporin A analogue)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)[C@@H](SCCN2CCOCC2)N(C)C1=O)C(C)C Show InChI InChI=1S/C68H122N12O13S/c1-25-27-28-45(15)56(81)55-60(85)71-48(26-2)62(87)79(24)68(94-34-31-80-29-32-93-33-30-80)67(92)74(19)50(36-40(5)6)59(84)72-53(43(11)12)65(90)73(18)49(35-39(3)4)58(83)69-46(16)57(82)70-47(17)61(86)75(20)51(37-41(7)8)63(88)76(21)52(38-42(9)10)64(89)77(22)54(44(13)14)66(91)78(55)23/h25,27,39-56,68,81H,26,28-38H2,1-24H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b27-25+/t45-,46+,47-,48+,49+,50+,51+,52+,53+,54+,55+,56-,68-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136487
(CHEMBL442519 | [(40-OH)MeLeu]4-Cyclosporin A)Show SMILES CC[C@@H]1NC(=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](CC(C)(C)O)N(C)C(=O)CN(C)C1=O)C(C)C Show InChI InChI=1S/C62H111N11O13/c1-25-27-28-39(13)51(75)50-55(79)65-42(26-2)57(81)67(18)33-47(74)68(19)46(32-62(16,17)86)54(78)66-48(37(9)10)60(84)69(20)43(29-34(3)4)53(77)63-40(14)52(76)64-41(15)56(80)70(21)44(30-35(5)6)58(82)71(22)45(31-36(7)8)59(83)72(23)49(38(11)12)61(85)73(50)24/h25,27,34-46,48-51,75,86H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t39-,40+,41-,42+,43+,44+,45+,46+,48+,49+,50?,51-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136487
(CHEMBL442519 | [(40-OH)MeLeu]4-Cyclosporin A)Show SMILES CC[C@@H]1NC(=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](CC(C)(C)O)N(C)C(=O)CN(C)C1=O)C(C)C Show InChI InChI=1S/C62H111N11O13/c1-25-27-28-39(13)51(75)50-55(79)65-42(26-2)57(81)67(18)33-47(74)68(19)46(32-62(16,17)86)54(78)66-48(37(9)10)60(84)69(20)43(29-34(3)4)53(77)63-40(14)52(76)64-41(15)56(80)70(21)44(30-35(5)6)58(82)71(22)45(31-36(7)8)59(83)72(23)49(38(11)12)61(85)73(50)24/h25,27,34-46,48-51,75,86H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t39-,40+,41-,42+,43+,44+,45+,46+,48+,49+,50?,51-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | 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
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 455 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136486
(CHEMBL405301 | [(D)MeSer]3-[(40-OH) MeLeu]4-Cyclos...)Show SMILES CC[C@@H]1NC(=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](CC(C)(C)O)N(C)C(=O)[C@@H](CO)N(C)C1=O)C(C)C Show InChI InChI=1S/C63H113N11O14/c1-25-27-28-39(13)51(76)50-55(80)66-42(26-2)57(82)72(22)47(33-75)60(85)71(21)46(32-63(16,17)88)54(79)67-48(37(9)10)61(86)68(18)43(29-34(3)4)53(78)64-40(14)52(77)65-41(15)56(81)69(19)44(30-35(5)6)58(83)70(20)45(31-36(7)8)59(84)73(23)49(38(11)12)62(87)74(50)24/h25,27,34-51,75-76,88H,26,28-33H2,1-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b27-25+/t39-,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
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 783 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136478
(CHEMBL3038091 | Cyclosporin A analogue)Show SMILES CC[C@H](C)C[C@@H]1N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C Show InChI InChI=1S/C63H113N11O12/c1-25-28-29-41(15)53(76)52-57(80)66-44(27-3)59(82)68(18)34-49(75)69(19)46(33-40(14)26-2)56(79)67-50(38(10)11)62(85)70(20)45(30-35(4)5)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(31-36(6)7)60(83)72(22)48(32-37(8)9)61(84)73(23)51(39(12)13)63(86)74(52)24/h25,28,35-48,50-53,76H,26-27,29-34H2,1-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-25+/t40-,41+,42-,43+,44-,45-,46-,47-,48-,50-,51-,52-,53+/m0/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 934 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136478
(CHEMBL3038091 | Cyclosporin A analogue)Show SMILES CC[C@H](C)C[C@@H]1N(C)C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C Show InChI InChI=1S/C63H113N11O12/c1-25-28-29-41(15)53(76)52-57(80)66-44(27-3)59(82)68(18)34-49(75)69(19)46(33-40(14)26-2)56(79)67-50(38(10)11)62(85)70(20)45(30-35(4)5)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(31-36(6)7)60(83)72(22)48(32-37(8)9)61(84)73(23)51(39(12)13)63(86)74(52)24/h25,28,35-48,50-53,76H,26-27,29-34H2,1-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-25+/t40-,41+,42-,43+,44-,45-,46-,47-,48-,50-,51-,52-,53+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 934 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136488
(CHEMBL3038086 | [(40-OH) MeLeu]4-CsA derivatives)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SCCO)N(C)C1=O)C(C)C Show InChI InChI=1S/C64H115N11O14S/c1-25-27-28-40(13)51(77)50-55(81)67-43(26-2)57(83)75(24)63(90-30-29-76)62(88)72(21)47(34-64(16,17)89)54(80)68-48(38(9)10)60(86)69(18)44(31-35(3)4)53(79)65-41(14)52(78)66-42(15)56(82)70(19)45(32-36(5)6)58(84)71(20)46(33-37(7)8)59(85)73(22)49(39(11)12)61(87)74(50)23/h25,27,35-51,63,76-77,89H,26,28-34H2,1-24H3,(H,65,79)(H,66,78)(H,67,81)(H,68,80)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-,63-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 959 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136488
(CHEMBL3038086 | [(40-OH) MeLeu]4-CsA derivatives)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SCCO)N(C)C1=O)C(C)C Show InChI InChI=1S/C64H115N11O14S/c1-25-27-28-40(13)51(77)50-55(81)67-43(26-2)57(83)75(24)63(90-30-29-76)62(88)72(21)47(34-64(16,17)89)54(80)68-48(38(9)10)60(86)69(18)44(31-35(3)4)53(79)65-41(14)52(78)66-42(15)56(82)70(19)45(32-36(5)6)58(84)71(20)46(33-37(7)8)59(85)73(22)49(39(11)12)61(87)74(50)23/h25,27,35-51,63,76-77,89H,26,28-34H2,1-24H3,(H,65,79)(H,66,78)(H,67,81)(H,68,80)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-,63-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 959 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136473
(CHEMBL1269597 | [(40-OH) MeLeu]4-CsA derivatives)Show SMILES [H][C@@]1([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SCCN(C)C)N(C)C(=O)[C@H](CC)NC1=O)C(C)C |r| Show InChI InChI=1S/C66H120N12O13S/c1-27-29-30-42(13)53(79)52-57(83)69-45(28-2)59(85)78(26)65(92-32-31-71(18)19)64(90)75(23)49(36-66(16,17)91)56(82)70-50(40(9)10)62(88)72(20)46(33-37(3)4)55(81)67-43(14)54(80)68-44(15)58(84)73(21)47(34-38(5)6)60(86)74(22)48(35-39(7)8)61(87)76(24)51(41(11)12)63(89)77(52)25/h27,29,37-53,65,79,91H,28,30-36H2,1-26H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b29-27+/t42-,43+,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,65-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136473
(CHEMBL1269597 | [(40-OH) MeLeu]4-CsA derivatives)Show SMILES [H][C@@]1([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SCCN(C)C)N(C)C(=O)[C@H](CC)NC1=O)C(C)C |r| Show InChI InChI=1S/C66H120N12O13S/c1-27-29-30-42(13)53(79)52-57(83)69-45(28-2)59(85)78(26)65(92-32-31-71(18)19)64(90)75(23)49(36-66(16,17)91)56(82)70-50(40(9)10)62(88)72(20)46(33-37(3)4)55(81)67-43(14)54(80)68-44(15)58(84)73(21)47(34-38(5)6)60(86)74(22)48(35-39(7)8)61(87)76(24)51(41(11)12)63(89)77(52)25/h27,29,37-53,65,79,91H,28,30-36H2,1-26H3,(H,67,81)(H,68,80)(H,69,83)(H,70,82)/b29-27+/t42-,43+,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,65-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50136477
(CHEMBL3038090 | [(40-OH) MeLeu]4-CsA derivatives)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SCCN(CC)CC)N(C)C1=O)C(C)C Show InChI InChI=1S/C68H124N12O13S/c1-27-31-32-44(15)55(81)54-59(85)71-47(28-2)61(87)79(26)67(94-34-33-80(29-3)30-4)66(92)76(23)51(38-68(18,19)93)58(84)72-52(42(11)12)64(90)73(20)48(35-39(5)6)57(83)69-45(16)56(82)70-46(17)60(86)74(21)49(36-40(7)8)62(88)75(22)50(37-41(9)10)63(89)77(24)53(43(13)14)65(91)78(54)25/h27,31,39-55,67,81,93H,28-30,32-38H2,1-26H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b31-27+/t44-,45+,46-,47+,48+,49+,50+,51+,52+,53+,54+,55-,67-/m1/s1 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against HIV-1 RT in CEM4 cell line |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50136477
(CHEMBL3038090 | [(40-OH) MeLeu]4-CsA derivatives)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@@H](SCCN(CC)CC)N(C)C1=O)C(C)C Show InChI InChI=1S/C68H124N12O13S/c1-27-31-32-44(15)55(81)54-59(85)71-47(28-2)61(87)79(26)67(94-34-33-80(29-3)30-4)66(92)76(23)51(38-68(18,19)93)58(84)72-52(42(11)12)64(90)73(20)48(35-39(5)6)57(83)69-45(16)56(82)70-46(17)60(86)74(21)49(36-40(7)8)62(88)75(22)50(37-41(9)10)63(89)77(24)53(43(13)14)65(91)78(54)25/h27,31,39-55,67,81,93H,28-30,32-38H2,1-26H3,(H,69,83)(H,70,82)(H,71,85)(H,72,84)/b31-27+/t44-,45+,46-,47+,48+,49+,50+,51+,52+,53+,54+,55-,67-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherche de Paris
Curated by ChEMBL
| Assay Description
Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells. |
Bioorg Med Chem Lett 13: 4415-9 (2003)
BindingDB Entry DOI: 10.7270/Q2183715 |
More data for this
Ligand-Target Pair | |
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