Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50029322 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 FKBP4
(Homo sapiens (Human)) | BDBM50403329
(CHEMBL2115526)Show SMILES CC1(C)COC(=O)CCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O |r| Show InChI InChI=1S/C22H35NO6/c1-22(2)16-29-18(24)13-8-6-4-3-5-7-11-15-28-21(27)17-12-9-10-14-23(17)20(26)19(22)25/h17H,3-16H2,1-2H3/t17-/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
| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50283391
(7,7-Dimethyl-tetradecahydro-9,20-dioxa-4a-aza-benz...)Show SMILES CC1(C)COC(=O)CCCCCCCCCOC(=O)C2CCCCN2C(=O)C1=O Show InChI InChI=1S/C22H35NO6/c1-22(2)16-29-18(24)13-8-6-4-3-5-7-11-15-28-21(27)17-12-9-10-14-23(17)20(26)19(22)25/h17H,3-16H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50403328
(CHEMBL1235837)Show SMILES CC1(C)COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O |r| Show InChI InChI=1S/C24H39NO6/c1-24(2)18-31-20(26)15-10-8-6-4-3-5-7-9-13-17-30-23(29)19-14-11-12-16-25(19)22(28)21(24)27/h19H,3-18H2,1-2H3/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50283390
(21-(2-Cyclohexyl-ethyl)-7,7-dimethyl-hexadecahydro...)Show SMILES CC1(C)COC(=O)CCCCCCCCCCC(CCC2CCCCC2)OC(=O)C2CCCCN2C(=O)C1=O Show InChI InChI=1S/C32H53NO6/c1-32(2)24-38-28(34)20-13-8-6-4-3-5-7-12-18-26(22-21-25-16-10-9-11-17-25)39-31(37)27-19-14-15-23-33(27)30(36)29(32)35/h25-27H,3-24H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50283388
(7,7-Dimethyl-hexadecahydro-9,22-dioxa-4a-aza-benzo...)Show SMILES CC1(C)COC(=O)CCCCCCCCCCCOC(=O)C2CCCCN2C(=O)C1=O Show InChI InChI=1S/C24H39NO6/c1-24(2)18-31-20(26)15-10-8-6-4-3-5-7-9-13-17-30-23(29)19-14-11-12-16-25(19)22(28)21(24)27/h19H,3-18H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| 2.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50283387
((11E,13Z)-7,7-Dimethyl-1,3,4,7,8,16,17,18,19,20,21...)Show SMILES CC1(C)COC(=O)\C=C\C=C/CCCCCCCOC(=O)C2CCCCN2C(=O)C1=O |c:9,t:7| Show InChI InChI=1S/C24H35NO6/c1-24(2)18-31-20(26)15-10-8-6-4-3-5-7-9-13-17-30-23(29)19-14-11-12-16-25(19)22(28)21(24)27/h6,8,10,15,19H,3-5,7,9,11-14,16-18H2,1-2H3/b8-6-,15-10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50283389
((11E,13E)-7,7-Dimethyl-1,3,4,7,8,16,17,18,19,20,21...)Show SMILES CC1(C)COC(=O)\C=C\C=C\CCCCCCCOC(=O)C2CCCCN2C(=O)C1=O |t:7,9| Show InChI InChI=1S/C24H35NO6/c1-24(2)18-31-20(26)15-10-8-6-4-3-5-7-9-13-17-30-23(29)19-14-11-12-16-25(19)22(28)21(24)27/h6,8,10,15,19H,3-5,7,9,11-14,16-18H2,1-2H3/b8-6+,15-10+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 8.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50283392
(7,7-Dimethyl-octahydro-9,14-dioxa-4a-aza-benzocycl...)Show InChI InChI=1S/C16H23NO6/c1-16(2)10-23-12(18)7-5-9-22-15(21)11-6-3-4-8-17(11)14(20)13(16)19/h11H,3-10H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.90E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase FKBP4
(Homo sapiens (Human)) | BDBM50283386
(7,7-Dimethyl-icosahydro-9,26-dioxa-4a-aza-benzocyc...)Show SMILES CC1(C)COC(=O)CCCCCCCCCCCCCCCOC(=O)C2CCCCN2C(=O)C1=O Show InChI InChI=1S/C28H47NO6/c1-28(2)22-35-24(30)19-14-12-10-8-6-4-3-5-7-9-11-13-17-21-34-27(33)23-18-15-16-20-29(23)26(32)25(28)31/h23H,3-22H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.10E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Apparent inhibition constant of the FKBP peptidyl-propyl isomerase (PPIase) activity |
Bioorg Med Chem Lett 4: 321-324 (1994)
Article DOI: 10.1016/S0960-894X(01)80136-0
BindingDB Entry DOI: 10.7270/Q24F1QPC |
More data for this
Ligand-Target Pair | |
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