Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50041004 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)) | BDBM50403339
(CHEMBL109950)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1cccc(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C35H39NO5/c1-4-35(2,3)32(38)33(39)36-23-12-11-20-29(36)34(40)41-30(22-21-25-14-7-5-8-15-25)27-18-13-19-28(24-27)31(37)26-16-9-6-10-17-26/h5-10,13-19,24,29-30H,4,11-12,20-23H2,1-3H3/t29-,30+/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
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12) |
Bioorg Med Chem Lett 4: 325-328 (1994)
Article DOI: 10.1016/S0960-894X(01)80137-2
BindingDB Entry DOI: 10.7270/Q21Z45M7 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50403336
(CHEMBL326881)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1cccc(c1)C(=O)N(CC=C)CC=C Show InChI InChI=1S/C35H44N2O5/c1-6-22-36(23-7-2)32(39)28-18-14-17-27(25-28)30(21-20-26-15-10-9-11-16-26)42-34(41)29-19-12-13-24-37(29)33(40)31(38)35(4,5)8-3/h6-7,9-11,14-18,25,29-30H,1-2,8,12-13,19-24H2,3-5H3/t29-,30+/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
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12) |
Bioorg Med Chem Lett 4: 325-328 (1994)
Article DOI: 10.1016/S0960-894X(01)80137-2
BindingDB Entry DOI: 10.7270/Q21Z45M7 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50403332
(CHEMBL323633)Show SMILES CC1(C)COC(=O)CCCCCCCCC(=O)c2cccc(c2)C(CCc2ccccc2)OC(=O)[C@@H]2CCCCN2C(=O)C1=O Show InChI InChI=1S/C37H47NO7/c1-37(2)26-44-33(40)21-11-6-4-3-5-10-20-31(39)28-17-14-18-29(25-28)32(23-22-27-15-8-7-9-16-27)45-36(43)30-19-12-13-24-38(30)35(42)34(37)41/h7-9,14-18,25,30,32H,3-6,10-13,19-24,26H2,1-2H3/t30-,32?/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
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12) |
Bioorg Med Chem Lett 4: 325-328 (1994)
Article DOI: 10.1016/S0960-894X(01)80137-2
BindingDB Entry DOI: 10.7270/Q21Z45M7 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50403335
(CHEMBL325145)Show SMILES CC1(C)CCC(=O)CCCCC(=O)OCC(C)(C)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1ccccc1 Show InChI InChI=1S/C32H45NO7/c1-31(2)20-19-24(34)14-8-9-16-27(35)39-22-32(3,4)28(36)29(37)33-21-11-10-15-25(33)30(38)40-26(31)18-17-23-12-6-5-7-13-23/h5-7,12-13,25-26H,8-11,14-22H2,1-4H3/t25-,26+/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
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12) |
Bioorg Med Chem Lett 4: 325-328 (1994)
Article DOI: 10.1016/S0960-894X(01)80137-2
BindingDB Entry DOI: 10.7270/Q21Z45M7 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50403331
(CHEMBL419576)Show SMILES C[C@H]1C\C(C)=C\[C@@H](CC=C)C(=O)OCCCOC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)COC1=O |t:4| Show InChI InChI=1S/C27H39NO8/c1-6-10-20-16-18(2)15-19(3)24(31)36-17-27(4,5)22(29)23(30)28-12-8-7-11-21(28)26(33)35-14-9-13-34-25(20)32/h6,16,19-21H,1,7-15,17H2,2-5H3/b18-16+/t19-,20+,21-/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
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12) |
Bioorg Med Chem Lett 4: 325-328 (1994)
Article DOI: 10.1016/S0960-894X(01)80137-2
BindingDB Entry DOI: 10.7270/Q21Z45M7 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50403337
(CHEMBL324539)Show SMILES CC1(C)COC(=O)CCCCC(=O)C=CC(C)(C)[C@@H](CCc2ccccc2)OC(=O)[C@@H]2CCCCN2C(=O)C1=O |w:13.12| Show InChI InChI=1S/C32H43NO7/c1-31(2)20-19-24(34)14-8-9-16-27(35)39-22-32(3,4)28(36)29(37)33-21-11-10-15-25(33)30(38)40-26(31)18-17-23-12-6-5-7-13-23/h5-7,12-13,19-20,25-26H,8-11,14-18,21-22H2,1-4H3/t25-,26+/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
| 175 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12) |
Bioorg Med Chem Lett 4: 325-328 (1994)
Article DOI: 10.1016/S0960-894X(01)80137-2
BindingDB Entry DOI: 10.7270/Q21Z45M7 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50403340
(CHEMBL110010)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)C(C)(C)\C=C\C(=O)c1ccccc1 Show InChI InChI=1S/C34H43NO5/c1-6-33(2,3)30(37)31(38)35-24-14-13-19-27(35)32(39)40-29(21-20-25-15-9-7-10-16-25)34(4,5)23-22-28(36)26-17-11-8-12-18-26/h7-12,15-18,22-23,27,29H,6,13-14,19-21,24H2,1-5H3/b23-22+/t27-,29+/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
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12); Value ranges from 190-900 nM |
Bioorg Med Chem Lett 4: 325-328 (1994)
Article DOI: 10.1016/S0960-894X(01)80137-2
BindingDB Entry DOI: 10.7270/Q21Z45M7 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50403333
(CHEMBL111266)Show SMILES CCCC(CCC)C(=O)C=CC(C)(C)[C@@H](CCc1ccccc1)OC(=O)[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)CC |w:9.8| Show InChI InChI=1S/C35H53NO5/c1-8-16-27(17-9-2)29(37)23-24-35(6,7)30(22-21-26-18-12-11-13-19-26)41-33(40)28-20-14-15-25-36(28)32(39)31(38)34(4,5)10-3/h11-13,18-19,23-24,27-28,30H,8-10,14-17,20-22,25H2,1-7H3/t28-,30+/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
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12); Value ranges from 190-900 nM |
Bioorg Med Chem Lett 4: 325-328 (1994)
Article DOI: 10.1016/S0960-894X(01)80137-2
BindingDB Entry DOI: 10.7270/Q21Z45M7 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50403334
(CHEMBL321670)Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccccc1)C(C)(C)C=CC(=O)C1CCCCC1 |w:31.33| Show InChI InChI=1S/C34H49NO5/c1-6-33(2,3)30(37)31(38)35-24-14-13-19-27(35)32(39)40-29(21-20-25-15-9-7-10-16-25)34(4,5)23-22-28(36)26-17-11-8-12-18-26/h7,9-10,15-16,22-23,26-27,29H,6,8,11-14,17-21,24H2,1-5H3/t27-,29+/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
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12) |
Bioorg Med Chem Lett 4: 325-328 (1994)
Article DOI: 10.1016/S0960-894X(01)80137-2
BindingDB Entry DOI: 10.7270/Q21Z45M7 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50403330
(CHEMBL116062)Show SMILES C[C@H]1C\C(C)=C\[C@@H](CC=C)C(=O)OCCCOC(=O)[C@@H]2CCCCN2C(=O)C(=O)C(C)(C)CCCOC1=O |t:4| Show InChI InChI=1S/C29H43NO8/c1-6-11-22-19-20(2)18-21(3)26(33)36-15-9-13-29(4,5)24(31)25(32)30-14-8-7-12-23(30)28(35)38-17-10-16-37-27(22)34/h6,19,21-23H,1,7-18H2,2-5H3/b20-19+/t21-,22+,23-/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
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12) |
Bioorg Med Chem Lett 4: 325-328 (1994)
Article DOI: 10.1016/S0960-894X(01)80137-2
BindingDB Entry DOI: 10.7270/Q21Z45M7 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50403341
(CHEMBL443019)Show SMILES C[C@@H]1COC(=O)[C@H](CC=C)\C=C(C)\C[C@H](C)C(=O)OCCCC(C)(C)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1ccccc1 |c:10| Show InChI InChI=1S/C38H53NO8/c1-7-14-30-24-26(2)23-27(3)35(42)45-22-13-20-38(5,6)33(40)34(41)39-21-12-11-17-31(39)37(44)47-32(28(4)25-46-36(30)43)19-18-29-15-9-8-10-16-29/h7-10,15-16,24,27-28,30-32H,1,11-14,17-23,25H2,2-6H3/b26-24+/t27-,28+,30+,31-,32+/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
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12) |
Bioorg Med Chem Lett 4: 325-328 (1994)
Article DOI: 10.1016/S0960-894X(01)80137-2
BindingDB Entry DOI: 10.7270/Q21Z45M7 |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP1A
(Homo sapiens (Human)) | BDBM50403338
(CHEMBL321246)Show SMILES C[C@@H]1COC(=O)[C@H](CC=C)\C=C(C)\C[C@H](C)C(=O)OCC(C)(C)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]1CCc1ccccc1 |c:10| Show InChI InChI=1S/C36H49NO8/c1-7-13-28-21-24(2)20-25(3)33(40)44-23-36(5,6)31(38)32(39)37-19-12-11-16-29(37)35(42)45-30(26(4)22-43-34(28)41)18-17-27-14-9-8-10-15-27/h7-10,14-15,21,25-26,28-30H,1,11-13,16-20,22-23H2,2-6H3/b24-21+/t25-,26+,28+,29-,30+/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
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against FK506 binding protein 12 (FKBP12) |
Bioorg Med Chem Lett 4: 325-328 (1994)
Article DOI: 10.1016/S0960-894X(01)80137-2
BindingDB Entry DOI: 10.7270/Q21Z45M7 |
More data for this
Ligand-Target Pair | |
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