Found 52 hits with Last Name = 'scorneaux' and Initial = 'b' 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)) | BDBM50323721
((3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-(2-(...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |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
| Article
PubMed
| 1.84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Scynexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of calcineurin phosphatase activity of CyPA |
Antimicrob Agents Chemother 54: 660-72 (2010)
Article DOI: 10.1128/AAC.00660-09
BindingDB Entry DOI: 10.7270/Q2V40VDG |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50022815
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Scynexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of calcineurin phosphatase activity of CyPA |
Antimicrob Agents Chemother 54: 660-72 (2010)
Article DOI: 10.1128/AAC.00660-09
BindingDB Entry DOI: 10.7270/Q2V40VDG |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50022815
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.33 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50022815
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8.78 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330185
(2-((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC#N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H110N12O12/c1-24-26-27-41(15)53(77)52-57(81)66-43(25-2)58(82)69(17)34-49(76)70(18)45(30-35(3)4)56(80)68-50(39(11)12)62(86)71(19)46(31-36(5)6)55(79)65-42(16)54(78)67-44(28-29-64)59(83)72(20)47(32-37(7)8)60(84)73(21)48(33-38(9)10)61(85)74(22)51(40(13)14)63(87)75(52)23/h24,26,35-48,50-53,77H,25,27-28,30-34H2,1-23H3,(H,65,79)(H,66,81)(H,67,78)(H,68,80)/b26-24+/t41-,42+,43+,44-,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.12 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330185
(2-((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC#N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H110N12O12/c1-24-26-27-41(15)53(77)52-57(81)66-43(25-2)58(82)69(17)34-49(76)70(18)45(30-35(3)4)56(80)68-50(39(11)12)62(86)71(19)46(31-36(5)6)55(79)65-42(16)54(78)67-44(28-29-64)59(83)72(20)47(32-37(7)8)60(84)73(21)48(33-38(9)10)61(85)74(22)51(40(13)14)63(87)75(52)23/h24,26,35-48,50-53,77H,25,27-28,30-34H2,1-23H3,(H,65,79)(H,66,81)(H,67,78)(H,68,80)/b26-24+/t41-,42+,43+,44-,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.45 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50323721
((3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-(2-(...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |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
| Article
PubMed
| n/a | n/a | 9.48 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50323721
((3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-(2-(...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |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
| Article
PubMed
| n/a | n/a | 10.3 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330190
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(4-amino...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C65H118N12O12/c1-24-26-29-43(15)55(79)54-59(83)68-45(25-2)60(84)71(17)36-51(78)72(18)47(32-37(3)4)58(82)70-52(41(11)12)64(88)73(19)48(33-38(5)6)57(81)67-44(16)56(80)69-46(30-27-28-31-66)61(85)74(20)49(34-39(7)8)62(86)75(21)50(35-40(9)10)63(87)76(22)53(42(13)14)65(89)77(54)23/h24,26,37-50,52-55,79H,25,27-36,66H2,1-23H3,(H,67,81)(H,68,83)(H,69,80)(H,70,82)/b26-24+/t43-,44+,45+,46-,47+,48+,49+,50+,52+,53+,54+,55-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.1 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330190
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(4-amino...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C65H118N12O12/c1-24-26-29-43(15)55(79)54-59(83)68-45(25-2)60(84)71(17)36-51(78)72(18)47(32-37(3)4)58(82)70-52(41(11)12)64(88)73(19)48(33-38(5)6)57(81)67-44(16)56(80)69-46(30-27-28-31-66)61(85)74(20)49(34-39(7)8)62(86)75(21)50(35-40(9)10)63(87)76(22)53(42(13)14)65(89)77(54)23/h24,26,37-50,52-55,79H,25,27-36,66H2,1-23H3,(H,67,81)(H,68,83)(H,69,80)(H,70,82)/b26-24+/t43-,44+,45+,46-,47+,48+,49+,50+,52+,53+,54+,55-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12.7 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330194
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(4-(dime...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCCN(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H122N12O12/c1-26-28-31-45(15)57(81)56-61(85)69-47(27-2)62(86)73(19)38-53(80)74(20)49(34-39(3)4)60(84)71-54(43(11)12)66(90)75(21)50(35-40(5)6)59(83)68-46(16)58(82)70-48(32-29-30-33-72(17)18)63(87)76(22)51(36-41(7)8)64(88)77(23)52(37-42(9)10)65(89)78(24)55(44(13)14)67(91)79(56)25/h26,28,39-52,54-57,81H,27,29-38H2,1-25H3,(H,68,83)(H,69,85)(H,70,82)(H,71,84)/b28-26+/t45-,46+,47+,48-,49+,50+,51+,52+,54+,55+,56+,57-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330197
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(3-(diet...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCN(CC)CC)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H124N12O12/c1-26-30-32-46(17)58(82)57-62(86)70-48(27-2)63(87)73(19)39-54(81)74(20)50(35-40(5)6)61(85)72-55(44(13)14)67(91)75(21)51(36-41(7)8)60(84)69-47(18)59(83)71-49(33-31-34-80(28-3)29-4)64(88)76(22)52(37-42(9)10)65(89)77(23)53(38-43(11)12)66(90)78(24)56(45(15)16)68(92)79(57)25/h26,30,40-53,55-58,82H,27-29,31-39H2,1-25H3,(H,69,84)(H,70,86)(H,71,83)(H,72,85)/b30-26+/t46-,47+,48+,49-,50+,51+,52+,53+,55+,56+,57+,58-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17.2 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330198
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(4-(diet...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCCN(CC)CC)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C69H126N12O12/c1-26-30-33-47(17)59(83)58-63(87)71-49(27-2)64(88)74(19)40-55(82)75(20)51(36-41(5)6)62(86)73-56(45(13)14)68(92)76(21)52(37-42(7)8)61(85)70-48(18)60(84)72-50(34-31-32-35-81(28-3)29-4)65(89)77(22)53(38-43(9)10)66(90)78(23)54(39-44(11)12)67(91)79(24)57(46(15)16)69(93)80(58)25/h26,30,41-54,56-59,83H,27-29,31-40H2,1-25H3,(H,70,85)(H,71,87)(H,72,84)(H,73,86)/b30-26+/t47-,48+,49+,50-,51+,52+,53+,54+,56+,57+,58+,59-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19.8 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330184
(CHEMBL1269582 | N-(4-((2R,5S,8S,11S,14S,17S,23S,26...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCCNC(=O)C(C)(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C70H126N12O13/c1-27-29-32-46(15)58(84)57-62(88)73-48(28-2)63(89)76(20)39-54(83)77(21)50(35-40(3)4)61(87)75-55(44(11)12)67(93)78(22)51(36-41(5)6)60(86)72-47(16)59(85)74-49(33-30-31-34-71-69(95)70(17,18)19)64(90)79(23)52(37-42(7)8)65(91)80(24)53(38-43(9)10)66(92)81(25)56(45(13)14)68(94)82(57)26/h27,29,40-53,55-58,84H,28,30-39H2,1-26H3,(H,71,95)(H,72,86)(H,73,88)(H,74,85)(H,75,87)/b29-27+/t46-,47+,48+,49-,50+,51+,52+,53+,55+,56+,57+,58-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20.6 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330197
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(3-(diet...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCN(CC)CC)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H124N12O12/c1-26-30-32-46(17)58(82)57-62(86)70-48(27-2)63(87)73(19)39-54(81)74(20)50(35-40(5)6)61(85)72-55(44(13)14)67(91)75(21)51(36-41(7)8)60(84)69-47(18)59(83)71-49(33-31-34-80(28-3)29-4)64(88)76(22)52(37-42(9)10)65(89)77(23)53(38-43(11)12)66(90)78(24)56(45(15)16)68(92)79(57)25/h26,30,40-53,55-58,82H,27-29,31-39H2,1-25H3,(H,69,84)(H,70,86)(H,71,83)(H,72,85)/b30-26+/t46-,47+,48+,49-,50+,51+,52+,53+,55+,56+,57+,58-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21.4 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330184
(CHEMBL1269582 | N-(4-((2R,5S,8S,11S,14S,17S,23S,26...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCCNC(=O)C(C)(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C70H126N12O13/c1-27-29-32-46(15)58(84)57-62(88)73-48(28-2)63(89)76(20)39-54(83)77(21)50(35-40(3)4)61(87)75-55(44(11)12)67(93)78(22)51(36-41(5)6)60(86)72-47(16)59(85)74-49(33-30-31-34-71-69(95)70(17,18)19)64(90)79(23)52(37-42(7)8)65(91)80(24)53(38-43(9)10)66(92)81(25)56(45(13)14)68(94)82(57)26/h27,29,40-53,55-58,84H,28,30-39H2,1-26H3,(H,71,95)(H,72,86)(H,73,88)(H,74,85)(H,75,87)/b29-27+/t46-,47+,48+,49-,50+,51+,52+,53+,55+,56+,57+,58-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22.8 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330191
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-((dimeth...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CN(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C64H116N12O12/c1-26-28-29-42(15)54(78)53-58(82)66-44(27-2)59(83)70(19)35-50(77)71(20)46(30-36(3)4)57(81)68-51(40(11)12)63(87)72(21)47(31-37(5)6)56(80)65-43(16)55(79)67-45(34-69(17)18)60(84)73(22)48(32-38(7)8)61(85)74(23)49(33-39(9)10)62(86)75(24)52(41(13)14)64(88)76(53)25/h26,28,36-49,51-54,78H,27,29-35H2,1-25H3,(H,65,80)(H,66,82)(H,67,79)(H,68,81)/b28-26+/t42-,43+,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22.9 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330186
(3-((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCC#N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C64H112N12O12/c1-24-26-28-42(15)54(78)53-58(82)67-44(25-2)59(83)70(17)35-50(77)71(18)46(31-36(3)4)57(81)69-51(40(11)12)63(87)72(19)47(32-37(5)6)56(80)66-43(16)55(79)68-45(29-27-30-65)60(84)73(20)48(33-38(7)8)61(85)74(21)49(34-39(9)10)62(86)75(22)52(41(13)14)64(88)76(53)23/h24,26,36-49,51-54,78H,25,27-29,31-35H2,1-23H3,(H,66,80)(H,67,82)(H,68,79)(H,69,81)/b26-24+/t42-,43+,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330186
(3-((2R,5S,8S,11S,14S,17S,23S,26S,29S,32S)-17-ethyl...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCC#N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C64H112N12O12/c1-24-26-28-42(15)54(78)53-58(82)67-44(25-2)59(83)70(17)35-50(77)71(18)46(31-36(3)4)57(81)69-51(40(11)12)63(87)72(19)47(32-37(5)6)56(80)66-43(16)55(79)68-45(29-27-30-65)60(84)73(20)48(33-38(7)8)61(85)74(21)49(34-39(9)10)62(86)75(22)52(41(13)14)64(88)76(53)23/h24,26,36-49,51-54,78H,25,27-29,31-35H2,1-23H3,(H,66,80)(H,67,82)(H,68,79)(H,69,81)/b26-24+/t42-,43+,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24.2 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330191
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-((dimeth...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CN(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C64H116N12O12/c1-26-28-29-42(15)54(78)53-58(82)66-44(27-2)59(83)70(19)35-50(77)71(20)46(30-36(3)4)57(81)68-51(40(11)12)63(87)72(21)47(31-37(5)6)56(80)65-43(16)55(79)67-45(34-69(17)18)60(84)73(22)48(32-38(7)8)61(85)74(23)49(33-39(9)10)62(86)75(24)52(41(13)14)64(88)76(53)25/h26,28,36-49,51-54,78H,27,29-35H2,1-25H3,(H,65,80)(H,66,82)(H,67,79)(H,68,81)/b28-26+/t42-,43+,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25.2 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330182
(CHEMBL1269580 | N-(2-((2R,5S,8S,11S,14S,17S,23S,26...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCNC(=O)C(C)(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H122N12O13/c1-27-29-30-44(15)56(82)55-60(86)71-46(28-2)61(87)74(20)37-52(81)75(21)48(33-38(3)4)59(85)73-53(42(11)12)65(91)76(22)49(34-39(5)6)58(84)70-45(16)57(83)72-47(31-32-69-67(93)68(17,18)19)62(88)77(23)50(35-40(7)8)63(89)78(24)51(36-41(9)10)64(90)79(25)54(43(13)14)66(92)80(55)26/h27,29,38-51,53-56,82H,28,30-37H2,1-26H3,(H,69,93)(H,70,84)(H,71,86)(H,72,83)(H,73,85)/b29-27+/t44-,45+,46+,47-,48+,49+,50+,51+,53+,54+,55+,56-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26.1 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330198
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(4-(diet...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCCN(CC)CC)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C69H126N12O12/c1-26-30-33-47(17)59(83)58-63(87)71-49(27-2)64(88)74(19)40-55(82)75(20)51(36-41(5)6)62(86)73-56(45(13)14)68(92)76(21)52(37-42(7)8)61(85)70-48(18)60(84)72-50(34-31-32-35-81(28-3)29-4)65(89)77(22)53(38-43(9)10)66(90)78(23)54(39-44(11)12)67(91)79(24)57(46(15)16)69(93)80(58)25/h26,30,41-54,56-59,83H,27-29,31-40H2,1-25H3,(H,70,85)(H,71,87)(H,72,84)(H,73,86)/b30-26+/t47-,48+,49+,50-,51+,52+,53+,54+,56+,57+,58+,59-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26.6 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330183
(CHEMBL1269581 | N-(3-((2R,5S,8S,11S,14S,17S,23S,26...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCNC(=O)C(C)(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C69H124N12O13/c1-27-29-31-45(15)57(83)56-61(87)72-47(28-2)62(88)75(20)38-53(82)76(21)49(34-39(3)4)60(86)74-54(43(11)12)66(92)77(22)50(35-40(5)6)59(85)71-46(16)58(84)73-48(32-30-33-70-68(94)69(17,18)19)63(89)78(23)51(36-41(7)8)64(90)79(24)52(37-42(9)10)65(91)80(25)55(44(13)14)67(93)81(56)26/h27,29,39-52,54-57,83H,28,30-38H2,1-26H3,(H,70,94)(H,71,85)(H,72,87)(H,73,84)(H,74,86)/b29-27+/t45-,46+,47+,48-,49+,50+,51+,52+,54+,55+,56+,57-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26.7 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330193
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(3-(dime...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCN(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C66H120N12O12/c1-26-28-30-44(15)56(80)55-60(84)68-46(27-2)61(85)72(19)37-52(79)73(20)48(33-38(3)4)59(83)70-53(42(11)12)65(89)74(21)49(34-39(5)6)58(82)67-45(16)57(81)69-47(31-29-32-71(17)18)62(86)75(22)50(35-40(7)8)63(87)76(23)51(36-41(9)10)64(88)77(24)54(43(13)14)66(90)78(55)25/h26,28,38-51,53-56,80H,27,29-37H2,1-25H3,(H,67,82)(H,68,84)(H,69,81)(H,70,83)/b28-26+/t44-,45+,46+,47-,48+,49+,50+,51+,53+,54+,55+,56-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28.9 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330183
(CHEMBL1269581 | N-(3-((2R,5S,8S,11S,14S,17S,23S,26...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCNC(=O)C(C)(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C69H124N12O13/c1-27-29-31-45(15)57(83)56-61(87)72-47(28-2)62(88)75(20)38-53(82)76(21)49(34-39(3)4)60(86)74-54(43(11)12)66(92)77(22)50(35-40(5)6)59(85)71-46(16)58(84)73-48(32-30-33-70-68(94)69(17,18)19)63(89)78(23)51(36-41(7)8)64(90)79(24)52(37-42(9)10)65(91)80(25)55(44(13)14)67(93)81(56)26/h27,29,39-52,54-57,83H,28,30-38H2,1-26H3,(H,70,94)(H,71,85)(H,72,87)(H,73,84)(H,74,86)/b29-27+/t45-,46+,47+,48-,49+,50+,51+,52+,54+,55+,56+,57-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30.5 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330182
(CHEMBL1269580 | N-(2-((2R,5S,8S,11S,14S,17S,23S,26...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCNC(=O)C(C)(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C68H122N12O13/c1-27-29-30-44(15)56(82)55-60(86)71-46(28-2)61(87)74(20)37-52(81)75(21)48(33-38(3)4)59(85)73-53(42(11)12)65(91)76(22)49(34-39(5)6)58(84)70-45(16)57(83)72-47(31-32-69-67(93)68(17,18)19)62(88)77(23)50(35-40(7)8)63(89)78(24)51(36-41(9)10)64(90)79(25)54(43(13)14)66(92)80(55)26/h27,29,38-51,53-56,82H,28,30-37H2,1-26H3,(H,69,93)(H,70,84)(H,71,86)(H,72,83)(H,73,85)/b29-27+/t44-,45+,46+,47-,48+,49+,50+,51+,53+,54+,55+,56-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31.2 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330193
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(3-(dime...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCN(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C66H120N12O12/c1-26-28-30-44(15)56(80)55-60(84)68-46(27-2)61(85)72(19)37-52(79)73(20)48(33-38(3)4)59(83)70-53(42(11)12)65(89)74(21)49(34-39(5)6)58(82)67-45(16)57(81)69-47(31-29-32-71(17)18)62(86)75(22)50(35-40(7)8)63(87)76(23)51(36-41(9)10)64(88)77(24)54(43(13)14)66(90)78(55)25/h26,28,38-51,53-56,80H,27,29-37H2,1-25H3,(H,67,82)(H,68,84)(H,69,81)(H,70,83)/b28-26+/t44-,45+,46+,47-,48+,49+,50+,51+,53+,54+,55+,56-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35.2 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330192
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(2-(dime...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCN(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C65H118N12O12/c1-26-28-29-43(15)55(79)54-59(83)67-45(27-2)60(84)71(19)36-51(78)72(20)47(32-37(3)4)58(82)69-52(41(11)12)64(88)73(21)48(33-38(5)6)57(81)66-44(16)56(80)68-46(30-31-70(17)18)61(85)74(22)49(34-39(7)8)62(86)75(23)50(35-40(9)10)63(87)76(24)53(42(13)14)65(89)77(54)25/h26,28,37-50,52-55,79H,27,29-36H2,1-25H3,(H,66,81)(H,67,83)(H,68,80)(H,69,82)/b28-26+/t43-,44+,45+,46-,47+,48+,49+,50+,52+,53+,54+,55-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330196
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(2-(diet...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCN(CC)CC)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H122N12O12/c1-26-30-31-45(17)57(81)56-61(85)69-47(27-2)62(86)72(19)38-53(80)73(20)49(34-39(5)6)60(84)71-54(43(13)14)66(90)74(21)50(35-40(7)8)59(83)68-46(18)58(82)70-48(32-33-79(28-3)29-4)63(87)75(22)51(36-41(9)10)64(88)76(23)52(37-42(11)12)65(89)77(24)55(44(15)16)67(91)78(56)25/h26,30,39-52,54-57,81H,27-29,31-38H2,1-25H3,(H,68,83)(H,69,85)(H,70,82)(H,71,84)/b30-26+/t45-,46+,47+,48-,49+,50+,51+,52+,54+,55+,56+,57-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55.9 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330192
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(2-(dime...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCN(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C65H118N12O12/c1-26-28-29-43(15)55(79)54-59(83)67-45(27-2)60(84)71(19)36-51(78)72(20)47(32-37(3)4)58(82)69-52(41(11)12)64(88)73(21)48(33-38(5)6)57(81)66-44(16)56(80)68-46(30-31-70(17)18)61(85)74(22)49(34-39(7)8)62(86)75(23)50(35-40(9)10)63(87)76(24)53(42(13)14)65(89)77(54)25/h26,28,37-50,52-55,79H,27,29-36H2,1-25H3,(H,66,81)(H,67,83)(H,68,80)(H,69,82)/b28-26+/t43-,44+,45+,46-,47+,48+,49+,50+,52+,53+,54+,55-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59.5 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330196
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(2-(diet...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCN(CC)CC)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H122N12O12/c1-26-30-31-45(17)57(81)56-61(85)69-47(27-2)62(86)72(19)38-53(80)73(20)49(34-39(5)6)60(84)71-54(43(13)14)66(90)74(21)50(35-40(7)8)59(83)68-46(18)58(82)70-48(32-33-79(28-3)29-4)63(87)75(22)51(36-41(9)10)64(88)76(23)52(37-42(11)12)65(89)77(24)55(44(15)16)67(91)78(56)25/h26,30,39-52,54-57,81H,27-29,31-38H2,1-25H3,(H,68,83)(H,69,85)(H,70,82)(H,71,84)/b30-26+/t45-,46+,47+,48-,49+,50+,51+,52+,54+,55+,56+,57-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65.2 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330181
(CHEMBL1269579 | tert-butyl((2R,5S,8S,11S,14S,17S,2...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H120N12O14/c1-27-29-30-43(15)55(81)54-59(85)70-45(28-2)60(86)73(20)36-51(80)74(21)47(31-37(3)4)58(84)72-52(41(11)12)64(90)75(22)48(32-38(5)6)57(83)69-44(16)56(82)71-46(35-68-66(92)93-67(17,18)19)61(87)76(23)49(33-39(7)8)62(88)77(24)50(34-40(9)10)63(89)78(25)53(42(13)14)65(91)79(54)26/h27,29,37-50,52-55,81H,28,30-36H2,1-26H3,(H,68,92)(H,69,83)(H,70,85)(H,71,82)(H,72,84)/b29-27+/t43-,44+,45+,46-,47+,48+,49+,50+,52+,53+,54+,55-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 66.8 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330187
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(aminome...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H112N12O12/c1-24-26-27-40(15)52(76)51-56(80)65-42(25-2)57(81)68(17)33-48(75)69(18)44(28-34(3)4)55(79)67-49(38(11)12)61(85)70(19)45(29-35(5)6)54(78)64-41(16)53(77)66-43(32-63)58(82)71(20)46(30-36(7)8)59(83)72(21)47(31-37(9)10)60(84)73(22)50(39(13)14)62(86)74(51)23/h24,26,34-47,49-52,76H,25,27-33,63H2,1-23H3,(H,64,78)(H,65,80)(H,66,77)(H,67,79)/b26-24+/t40-,41+,42+,43-,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79.7 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330181
(CHEMBL1269579 | tert-butyl((2R,5S,8S,11S,14S,17S,2...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H120N12O14/c1-27-29-30-43(15)55(81)54-59(85)70-45(28-2)60(86)73(20)36-51(80)74(21)47(31-37(3)4)58(84)72-52(41(11)12)64(90)75(22)48(32-38(5)6)57(83)69-44(16)56(82)71-46(35-68-66(92)93-67(17,18)19)61(87)76(23)49(33-39(7)8)62(88)77(24)50(34-40(9)10)63(89)78(25)53(42(13)14)65(91)79(54)26/h27,29,37-50,52-55,81H,28,30-36H2,1-26H3,(H,68,92)(H,69,83)(H,70,85)(H,71,82)(H,72,84)/b29-27+/t43-,44+,45+,46-,47+,48+,49+,50+,52+,53+,54+,55-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 83.5 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330194
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(4-(dime...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCCN(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C67H122N12O12/c1-26-28-31-45(15)57(81)56-61(85)69-47(27-2)62(86)73(19)38-53(80)74(20)49(34-39(3)4)60(84)71-54(43(11)12)66(90)75(21)50(35-40(5)6)59(83)68-46(16)58(82)70-48(32-29-30-33-72(17)18)63(87)76(22)51(36-41(7)8)64(88)77(23)52(37-42(9)10)65(89)78(24)55(44(13)14)67(91)79(56)25/h26,28,39-52,54-57,81H,27,29-38H2,1-25H3,(H,68,83)(H,69,85)(H,70,82)(H,71,84)/b28-26+/t45-,46+,47+,48-,49+,50+,51+,52+,54+,55+,56+,57-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 97.1 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330187
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(aminome...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H112N12O12/c1-24-26-27-40(15)52(76)51-56(80)65-42(25-2)57(81)68(17)33-48(75)69(18)44(28-34(3)4)55(79)67-49(38(11)12)61(85)70(19)45(29-35(5)6)54(78)64-41(16)53(77)66-43(32-63)58(82)71(20)46(30-36(7)8)59(83)72(21)47(31-37(9)10)60(84)73(22)50(39(13)14)62(86)74(51)23/h24,26,34-47,49-52,76H,25,27-33,63H2,1-23H3,(H,64,78)(H,65,80)(H,66,77)(H,67,79)/b26-24+/t40-,41+,42+,43-,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330195
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-((diethy...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CN(CC)CC)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C66H120N12O12/c1-26-30-31-44(17)56(80)55-60(84)68-46(27-2)61(85)71(19)37-52(79)72(20)48(32-38(5)6)59(83)70-53(42(13)14)65(89)73(21)49(33-39(7)8)58(82)67-45(18)57(81)69-47(36-78(28-3)29-4)62(86)74(22)50(34-40(9)10)63(87)75(23)51(35-41(11)12)64(88)76(24)54(43(15)16)66(90)77(55)25/h26,30,38-51,53-56,80H,27-29,31-37H2,1-25H3,(H,67,82)(H,68,84)(H,69,81)(H,70,83)/b30-26+/t44-,45+,46+,47-,48+,49+,50+,51+,53+,54+,55+,56-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330188
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(2-amino...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H114N12O12/c1-24-26-27-41(15)53(77)52-57(81)66-43(25-2)58(82)69(17)34-49(76)70(18)45(30-35(3)4)56(80)68-50(39(11)12)62(86)71(19)46(31-36(5)6)55(79)65-42(16)54(78)67-44(28-29-64)59(83)72(20)47(32-37(7)8)60(84)73(21)48(33-38(9)10)61(85)74(22)51(40(13)14)63(87)75(52)23/h24,26,35-48,50-53,77H,25,27-34,64H2,1-23H3,(H,65,79)(H,66,81)(H,67,78)(H,68,80)/b26-24+/t41-,42+,43+,44-,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330195
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-((diethy...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CN(CC)CC)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C66H120N12O12/c1-26-30-31-44(17)56(80)55-60(84)68-46(27-2)61(85)71(19)37-52(79)72(20)48(32-38(5)6)59(83)70-53(42(13)14)65(89)73(21)49(33-39(7)8)58(82)67-45(18)57(81)69-47(36-78(28-3)29-4)62(86)74(22)50(34-40(9)10)63(87)75(23)51(35-41(11)12)64(88)76(24)54(43(15)16)66(90)77(55)25/h26,30,38-51,53-56,80H,27-29,31-37H2,1-25H3,(H,67,82)(H,68,84)(H,69,81)(H,70,83)/b30-26+/t44-,45+,46+,47-,48+,49+,50+,51+,53+,54+,55+,56-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330188
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(2-amino...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C63H114N12O12/c1-24-26-27-41(15)53(77)52-57(81)66-43(25-2)58(82)69(17)34-49(76)70(18)45(30-35(3)4)56(80)68-50(39(11)12)62(86)71(19)46(31-36(5)6)55(79)65-42(16)54(78)67-44(28-29-64)59(83)72(20)47(32-37(7)8)60(84)73(21)48(33-38(9)10)61(85)74(22)51(40(13)14)63(87)75(52)23/h24,26,35-48,50-53,77H,25,27-34,64H2,1-23H3,(H,65,79)(H,66,81)(H,67,78)(H,68,80)/b26-24+/t41-,42+,43+,44-,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 218 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50330189
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(3-amino...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C64H116N12O12/c1-24-26-28-42(15)54(78)53-58(82)67-44(25-2)59(83)70(17)35-50(77)71(18)46(31-36(3)4)57(81)69-51(40(11)12)63(87)72(19)47(32-37(5)6)56(80)66-43(16)55(79)68-45(29-27-30-65)60(84)73(20)48(33-38(7)8)61(85)74(21)49(34-39(9)10)62(86)75(22)52(41(13)14)64(88)76(53)23/h24,26,36-49,51-54,78H,25,27-35,65H2,1-23H3,(H,66,80)(H,67,82)(H,68,79)(H,69,81)/b26-24+/t42-,43+,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 662 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin A by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase B
(Homo sapiens (Human)) | BDBM50330189
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-(3-amino...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C64H116N12O12/c1-24-26-28-42(15)54(78)53-58(82)67-44(25-2)59(83)70(17)35-50(77)71(18)46(31-36(3)4)57(81)69-51(40(11)12)63(87)72(19)47(32-37(5)6)56(80)66-43(16)55(79)68-45(29-27-30-65)60(84)73(20)48(33-38(7)8)61(85)74(21)49(34-39(9)10)62(86)75(22)52(41(13)14)64(88)76(53)23/h24,26,36-49,51-54,78H,25,27-35,65H2,1-23H3,(H,66,80)(H,67,82)(H,68,79)(H,69,81)/b26-24+/t42-,43+,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SCYNEXIS, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to cyclophilin B by ELISA |
Bioorg Med Chem Lett 20: 6542-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.036
BindingDB Entry DOI: 10.7270/Q2M909NJ |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50022815
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Scynexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 after 30 mins |
Antimicrob Agents Chemother 54: 660-72 (2010)
Article DOI: 10.1128/AAC.00660-09
BindingDB Entry DOI: 10.7270/Q2V40VDG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50022815
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Scynexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 after 30 mins |
Antimicrob Agents Chemother 54: 660-72 (2010)
Article DOI: 10.1128/AAC.00660-09
BindingDB Entry DOI: 10.7270/Q2V40VDG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50323721
((3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-(2-(...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |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
| Article
PubMed
| n/a | n/a | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Scynexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 after 30 mins |
Antimicrob Agents Chemother 54: 660-72 (2010)
Article DOI: 10.1128/AAC.00660-09
BindingDB Entry DOI: 10.7270/Q2V40VDG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50323721
((3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-(2-(...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |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
| Article
PubMed
| n/a | n/a | 1.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Scynexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 after 30 mins |
Antimicrob Agents Chemother 54: 660-72 (2010)
Article DOI: 10.1128/AAC.00660-09
BindingDB Entry DOI: 10.7270/Q2V40VDG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50022815
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Scynexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 after 30 mins |
Antimicrob Agents Chemother 54: 660-72 (2010)
Article DOI: 10.1128/AAC.00660-09
BindingDB Entry DOI: 10.7270/Q2V40VDG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50323721
((3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-(2-(...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |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
| Article
PubMed
| n/a | n/a | 5.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Scynexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 after 30 mins |
Antimicrob Agents Chemother 54: 660-72 (2010)
Article DOI: 10.1128/AAC.00660-09
BindingDB Entry DOI: 10.7270/Q2V40VDG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50323721
((3S,6S,9S,12R,15S,18S,21S,24S,27S,30S,33S)-27-(2-(...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)(C)O)N(C)C(=O)[C@H](SCCN(C)C)N(C)C1=O)C(C)C |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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Scynexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 after 30 mins |
Antimicrob Agents Chemother 54: 660-72 (2010)
Article DOI: 10.1128/AAC.00660-09
BindingDB Entry DOI: 10.7270/Q2V40VDG |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50022815
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Scynexis, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 after 30 mins |
Antimicrob Agents Chemother 54: 660-72 (2010)
Article DOI: 10.1128/AAC.00660-09
BindingDB Entry DOI: 10.7270/Q2V40VDG |
More data for this
Ligand-Target Pair | |
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