Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50029409 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 FKBP1A
(Homo sapiens (Human)) | BDBM50284189
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OC\C=C\C)[C@H](O)C1 |c:3| Show InChI InChI=1S/C46H73NO12/c1-10-12-19-57-38-17-16-32(25-37(38)50)23-29(5)41-31(7)35(48)26-36(49)33(11-2)21-27(3)20-28(4)22-39(55-8)42-40(56-9)24-30(6)46(54,59-42)43(51)44(52)47-18-14-13-15-34(47)45(53)58-41/h10,12,21,23,28,30-35,37-42,48,50,54H,11,13-20,22,24-26H2,1-9H3/b12-10+,27-21+,29-23+/t28-,30-,31+,32-,33+,34-,35-,37+,38+,39-,40-,41+,42+,46?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 9.20 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay |
Bioorg Med Chem Lett 4: 927-930 (1994)
Article DOI: 10.1016/S0960-894X(01)80265-1
BindingDB Entry DOI: 10.7270/Q2CN73VP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50403374
(CHEMBL2062149 | L-683742)Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@H](O)C1 |c:3| Show InChI InChI=1S/C42H67NO12/c1-9-29-17-23(2)16-24(3)18-35(52-7)38-36(53-8)20-26(5)42(51,55-38)39(48)40(49)43-15-11-10-12-30(43)41(50)54-37(27(6)32(45)22-33(29)46)25(4)19-28-13-14-31(44)34(47)21-28/h17,19,24,26-32,34-38,44-45,47,51H,9-16,18,20-22H2,1-8H3/b23-17+,25-19+/t24-,26-,27+,28-,29+,30-,31+,32-,34+,35-,36-,37+,38+,42+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay |
Bioorg Med Chem Lett 4: 927-930 (1994)
Article DOI: 10.1016/S0960-894X(01)80265-1
BindingDB Entry DOI: 10.7270/Q2CN73VP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50284198
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OCc1ccsc1 |c:3| Show InChI InChI=1S/C47H71NO12S/c1-9-34-19-27(2)18-28(3)20-40(56-7)43-41(57-8)22-30(5)47(55,60-43)44(52)45(53)48-16-11-10-12-35(48)46(54)59-42(31(6)37(50)24-38(34)51)29(4)21-32-13-14-36(49)39(23-32)58-25-33-15-17-61-26-33/h15,17,19,21,26,28,30-32,34-37,39-43,49-50,55H,9-14,16,18,20,22-25H2,1-8H3/b27-19+,29-21+/t28-,30-,31+,32-,34+,35-,36+,37-,39+,40-,41-,42+,43+,47?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay |
Bioorg Med Chem Lett 4: 927-930 (1994)
Article DOI: 10.1016/S0960-894X(01)80265-1
BindingDB Entry DOI: 10.7270/Q2CN73VP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50284197
((E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-12-[(...)Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OCC=C |c:3| Show InChI InChI=1S/C45H71NO12/c1-10-18-56-37-24-31(15-16-34(37)47)22-28(5)40-30(7)35(48)25-36(49)32(11-2)20-26(3)19-27(4)21-38(54-8)41-39(55-9)23-29(6)45(53,58-41)42(50)43(51)46-17-13-12-14-33(46)44(52)57-40/h10,20,22,27,29-35,37-41,47-48,53H,1,11-19,21,23-25H2,2-9H3/b26-20+,28-22+/t27-,29-,30+,31-,32+,33-,34+,35-,37+,38-,39-,40+,41+,45?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay |
Bioorg Med Chem Lett 4: 927-930 (1994)
Article DOI: 10.1016/S0960-894X(01)80265-1
BindingDB Entry DOI: 10.7270/Q2CN73VP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50284193
((E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-12-[(...)Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCC=C)[C@H](O)C1 |c:3| Show InChI InChI=1S/C45H71NO12/c1-10-18-56-37-16-15-31(24-36(37)49)22-28(5)40-30(7)34(47)25-35(48)32(11-2)20-26(3)19-27(4)21-38(54-8)41-39(55-9)23-29(6)45(53,58-41)42(50)43(51)46-17-13-12-14-33(46)44(52)57-40/h10,20,22,27,29-34,36-41,47,49,53H,1,11-19,21,23-25H2,2-9H3/b26-20+,28-22+/t27-,29-,30+,31-,32+,33-,34-,36+,37+,38-,39-,40+,41+,45?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 6.10 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay |
Bioorg Med Chem Lett 4: 927-930 (1994)
Article DOI: 10.1016/S0960-894X(01)80265-1
BindingDB Entry DOI: 10.7270/Q2CN73VP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50284194
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC(C)C=C |c:3| Show InChI InChI=1S/C46H73NO12/c1-11-30(7)57-38-24-32(16-17-35(38)48)22-28(5)41-31(8)36(49)25-37(50)33(12-2)20-26(3)19-27(4)21-39(55-9)42-40(56-10)23-29(6)46(54,59-42)43(51)44(52)47-18-14-13-15-34(47)45(53)58-41/h11,20,22,27,29-36,38-42,48-49,54H,1,12-19,21,23-25H2,2-10H3/b26-20+,28-22+/t27-,29-,30?,31+,32-,33+,34-,35+,36-,38+,39-,40-,41+,42+,46?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay |
Bioorg Med Chem Lett 4: 927-930 (1994)
Article DOI: 10.1016/S0960-894X(01)80265-1
BindingDB Entry DOI: 10.7270/Q2CN73VP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50068939
((E)-(9S,12S,13R,14S,17R,21S,23S,24R,25S,27S)-17-Et...)Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC |c:3| Show InChI InChI=1S/C43H69NO12/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)44-16-12-11-13-31(44)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-32(45)35(22-29)52-7/h18,20,25,27-33,35-39,45-46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay |
Bioorg Med Chem Lett 4: 927-930 (1994)
Article DOI: 10.1016/S0960-894X(01)80265-1
BindingDB Entry DOI: 10.7270/Q2CN73VP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50284187
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCc2ccco2)[C@H](O)C1 |c:3| Show InChI InChI=1S/C47H71NO13/c1-9-33-20-27(2)19-28(3)21-40(56-7)43-41(57-8)23-30(5)47(55,61-43)44(52)45(53)48-17-11-10-14-35(48)46(54)60-42(31(6)36(49)25-37(33)50)29(4)22-32-15-16-39(38(51)24-32)59-26-34-13-12-18-58-34/h12-13,18,20,22,28,30-33,35-36,38-43,49,51,55H,9-11,14-17,19,21,23-26H2,1-8H3/b27-20+,29-22+/t28-,30-,31+,32-,33+,35-,36-,38+,39+,40-,41-,42+,43+,47?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay |
Bioorg Med Chem Lett 4: 927-930 (1994)
Article DOI: 10.1016/S0960-894X(01)80265-1
BindingDB Entry DOI: 10.7270/Q2CN73VP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50284196
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OC(C)C=C)[C@H](O)C1 |c:3| Show InChI InChI=1S/C46H73NO12/c1-11-30(7)57-38-17-16-32(24-37(38)50)22-28(5)41-31(8)35(48)25-36(49)33(12-2)20-26(3)19-27(4)21-39(55-9)42-40(56-10)23-29(6)46(54,59-42)43(51)44(52)47-18-14-13-15-34(47)45(53)58-41/h11,20,22,27,29-35,37-42,48,50,54H,1,12-19,21,23-25H2,2-10H3/b26-20+,28-22+/t27-,29-,30?,31+,32-,33+,34-,35-,37+,38+,39-,40-,41+,42+,46?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay |
Bioorg Med Chem Lett 4: 927-930 (1994)
Article DOI: 10.1016/S0960-894X(01)80265-1
BindingDB Entry DOI: 10.7270/Q2CN73VP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50284186
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OCc1ccco1 |c:3| Show InChI InChI=1S/C47H71NO13/c1-9-33-20-27(2)19-28(3)21-40(56-7)43-41(57-8)23-30(5)47(55,61-43)44(52)45(53)48-17-11-10-14-35(48)46(54)60-42(31(6)37(50)25-38(33)51)29(4)22-32-15-16-36(49)39(24-32)59-26-34-13-12-18-58-34/h12-13,18,20,22,28,30-33,35-37,39-43,49-50,55H,9-11,14-17,19,21,23-26H2,1-8H3/b27-20+,29-22+/t28-,30-,31+,32-,33+,35-,36+,37-,39+,40-,41-,42+,43+,47?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay |
Bioorg Med Chem Lett 4: 927-930 (1994)
Article DOI: 10.1016/S0960-894X(01)80265-1
BindingDB Entry DOI: 10.7270/Q2CN73VP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50284188
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCc2cccs2)[C@H](O)C1 |c:3| Show InChI InChI=1S/C47H71NO12S/c1-9-33-20-27(2)19-28(3)21-40(56-7)43-41(57-8)23-30(5)47(55,60-43)44(52)45(53)48-17-11-10-14-35(48)46(54)59-42(31(6)36(49)25-37(33)50)29(4)22-32-15-16-39(38(51)24-32)58-26-34-13-12-18-61-34/h12-13,18,20,22,28,30-33,35-36,38-43,49,51,55H,9-11,14-17,19,21,23-26H2,1-8H3/b27-20+,29-22+/t28-,30-,31+,32-,33+,35-,36-,38+,39+,40-,41-,42+,43+,47?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay |
Bioorg Med Chem Lett 4: 927-930 (1994)
Article DOI: 10.1016/S0960-894X(01)80265-1
BindingDB Entry DOI: 10.7270/Q2CN73VP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50284190
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OCc1cccs1 |c:3| Show InChI InChI=1S/C47H71NO12S/c1-9-33-20-27(2)19-28(3)21-40(56-7)43-41(57-8)23-30(5)47(55,60-43)44(52)45(53)48-17-11-10-14-35(48)46(54)59-42(31(6)37(50)25-38(33)51)29(4)22-32-15-16-36(49)39(24-32)58-26-34-13-12-18-61-34/h12-13,18,20,22,28,30-33,35-37,39-43,49-50,55H,9-11,14-17,19,21,23-26H2,1-8H3/b27-20+,29-22+/t28-,30-,31+,32-,33+,35-,36+,37-,39+,40-,41-,42+,43+,47?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay |
Bioorg Med Chem Lett 4: 927-930 (1994)
Article DOI: 10.1016/S0960-894X(01)80265-1
BindingDB Entry DOI: 10.7270/Q2CN73VP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50284195
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](OCc2ccsc2)[C@H](O)C1 |c:3| Show InChI InChI=1S/C47H71NO12S/c1-9-34-19-27(2)18-28(3)20-40(56-7)43-41(57-8)22-30(5)47(55,60-43)44(52)45(53)48-16-11-10-12-35(48)46(54)59-42(31(6)36(49)24-37(34)50)29(4)21-32-13-14-39(38(51)23-32)58-25-33-15-17-61-26-33/h15,17,19,21,26,28,30-32,34-36,38-43,49,51,55H,9-14,16,18,20,22-25H2,1-8H3/b27-19+,29-21+/t28-,30-,31+,32-,34+,35-,36-,38+,39+,40-,41-,42+,43+,47?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay |
Bioorg Med Chem Lett 4: 927-930 (1994)
Article DOI: 10.1016/S0960-894X(01)80265-1
BindingDB Entry DOI: 10.7270/Q2CN73VP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50284185
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC(C)C |c:3| Show InChI InChI=1S/C45H73NO12/c1-11-32-19-26(4)18-27(5)20-38(54-9)41-39(55-10)22-29(7)45(53,58-41)42(50)43(51)46-17-13-12-14-33(46)44(52)57-40(30(8)35(48)24-36(32)49)28(6)21-31-15-16-34(47)37(23-31)56-25(2)3/h19,21,25,27,29-35,37-41,47-48,53H,11-18,20,22-24H2,1-10H3/b26-19+,28-21+/t27-,29-,30+,31-,32+,33-,34+,35-,37+,38-,39-,40+,41+,45?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability of the compound to bind the major cystolic receptor FKBP12 by using competitive binding assay |
Bioorg Med Chem Lett 4: 927-930 (1994)
Article DOI: 10.1016/S0960-894X(01)80265-1
BindingDB Entry DOI: 10.7270/Q2CN73VP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50284192
(C32-O-cinnamyl ether analogue of L-683590 | CHEMBL...)Show SMILES CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2OC(O)([C@@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC\C=C\C |c:3| Show InChI InChI=1S/C46H73NO12/c1-10-12-19-57-38-25-32(16-17-35(38)48)23-29(5)41-31(7)36(49)26-37(50)33(11-2)21-27(3)20-28(4)22-39(55-8)42-40(56-9)24-30(6)46(54,59-42)43(51)44(52)47-18-14-13-15-34(47)45(53)58-41/h10,12,21,23,28,30-36,38-42,48-49,54H,11,13-20,22,24-26H2,1-9H3/b12-10+,27-21+,29-23+/t28-,30-,31+,32-,33+,34-,35+,36-,38+,39-,40-,41+,42+,46?/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Ability to bind the major cystolic receptor FK506 binding protein 12 by using competitive binding assay |
Bioorg Med Chem Lett 4: 927-930 (1994)
Article DOI: 10.1016/S0960-894X(01)80265-1
BindingDB Entry DOI: 10.7270/Q2CN73VP |
More data for this
Ligand-Target Pair | |
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